8007-2084 Screening compound: 1,3-dioxo-2-{3-[(4-phenoxyanilino)carbonyl]phenyl}-N-(4-phenoxyphenyl)-5-isoindolinecarboxamide

8007-2084 Screening compound: 1,3-dioxo-2-{3-[(4-phenoxyanilino)carbonyl]phenyl}-N-(4-phenoxyphenyl)-5-isoindolinecarboxamide
8007-2084 Screening compound: 1,3-dioxo-2-{3-[(4-phenoxyanilino)carbonyl]phenyl}-N-(4-phenoxyphenyl)-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2084
1,3-dioxo-2-{3-[(4-phenoxyanilino)carbonyl]phenyl}-N-(4-phenoxyphenyl)-5-isoindolinecarboxamide

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

8007-2084

Molecular Formula

C40H27N3O6 (C40 H27 N3 O6)

Compound Name

1,3-dioxo-2-{3-[(4-phenoxyanilino)carbonyl]phenyl}-N-(4-phenoxyphenyl)-5-isoindolinecarboxamide

IUPAC name

13-dioxo-N-(4-phenoxyphenyl)-2-{3-[(4-phenoxyphenyl)carbamoyl]phenyl}-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(c(cc1)cc(C(N2c3cc(C(Nc(cc4)ccc4Oc4ccccc4)=O)ccc3)=O)c1C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C40H27N3O6/c44-37(41-28-15-19-33(20-16-28)48-31-10-3-1-4-11-31)26-8-7-9-30(24-26)43-39(46)35-23-14-27(25-36(35)40(43)47)38(45)42-29-17-21-34(22-18-29)49-32-12-5-2-6-13-32/h1-25H,(H,41,44)(H,42,45)

InChI Key

JCAUUBHTMMRTQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

645.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.142

Distribution Coefficient, logD

8.141

Water Solubility, LogSw

-6.32

Polar Surface Area

88.558

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8007-2084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 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 8007-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2084?
Check Price and Availability of 8007-2084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2084
  • 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 8007-2084 available by request