8003-0728 Screening compound: 4-{9-[4-(1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate

8003-0728 Screening compound: 4-{9-[4-(1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate
8003-0728 Screening compound: 4-{9-[4-(1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0728
4-{9-[4-(1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-0728

Molecular Formula

C73H44N2O10 (C73 H44 N2 O10)

Compound Name

4-{9-[4-(1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

4-{9-[4-(13-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-23-dihydro-1H-isoindole-5-carbonyloxy)phenyl]-9H-fluoren-9-yl}phenyl 13-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-23-dihydro-1H-isoindole-5-carboxylate

SMILES

O=C(/C=C/c(cc1)ccc1N(C(c(cc1)c2cc1C(Oc1ccc(C3(c(cccc4)c4-c4c3cccc4)c(cc3)ccc3OC(c(cc3)cc(C(N4c5ccc(/C=C/C(c6ccccc6)=O)cc5)=O)c3C4=O)=O)cc1)=O)=O)C2=O)c1ccccc1

InChI

InChI=1S/C73H44N2O10/c76-65(47-11-3-1-4-12-47)41-23-45-19-31-53(32-20-45)74-67(78)59-39-25-49(43-61(59)69(74)80)71(82)84-55-35-27-51(28-36-55)73(63-17-9-7-15-57(63)58-16-8-10-18-64(58)73)52-29-37-56(38-30-52)85-72(83)50-26-40-60-62(44-50)70(81)75(68(60)79)54-33-21-46(22-34-54)24-42-66(77)48-13-5-2-6-14-48/h1-44H

InChI Key

JTFUGHYOQVYQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1109.16

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

13.287

Distribution Coefficient, logD

13.287

Water Solubility, LogSw

-6.28

Polar Surface Area

123.700

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.40

8003-0728 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0728?
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What is the minimum amount of 8003-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0728
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8003-0728 available by request