8005-3985 Screening compound: 4-{9-[4-({[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}oxy)phenyl]-9H-fluoren-9-yl}phenyl 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

8005-3985 Screening compound: 4-{9-[4-({[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}oxy)phenyl]-9H-fluoren-9-yl}phenyl 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate
8005-3985 Screening compound: 4-{9-[4-({[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}oxy)phenyl]-9H-fluoren-9-yl}phenyl 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3985
4-{9-[4-({[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}oxy)phenyl]-9H-fluoren-9-yl}phenyl 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

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

8005-3985

Molecular Formula

C55H30N4O12 (C55 H30 N4 O12)

Compound Name

4-{9-[4-({[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}oxy)phenyl]-9H-fluoren-9-yl}phenyl 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

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

SMILES

[O-][N+](c1cccc(N(C(c(cc2)c3cc2C(Oc2ccc(C4(c(cccc5)c5-c5c4cccc5)c(cc4)ccc4OC(c(cc4)cc(C(N5c6cccc([N+]([O-])=O)c6)=O)c4C5=O)=O)cc2)=O)=O)C3=O)c1)=O

InChI

InChI=1S/C55H30N4O12/c60-49-43-25-15-31(27-45(43)51(62)56(49)35-7-5-9-37(29-35)58(66)67)53(64)70-39-21-17-33(18-22-39)55(47-13-3-1-11-41(47)42-12-2-4-14-48(42)55)34-19-23-40(24-20-34)71-54(65)32-16-26-44-46(28-32)52(63)57(50(44)61)36-8-6-10-38(30-36)59(68)69/h1-30H

InChI Key

KOJKJGPMWSPKDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

938.86

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

10.139

Distribution Coefficient, logD

10.139

Water Solubility, LogSw

-6.22

Polar Surface Area

164.512

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.82

8005-3985 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 8005-3985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3985?
Check Price and Availability of 8005-3985, 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 8005-3985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3985
  • 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 8005-3985 available by request