8004-9038 Screening compound: 2-[3-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-({4-[(E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid

8004-9038 Screening compound: 2-[3-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-({4-[(E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid
8004-9038 Screening compound: 2-[3-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-({4-[(E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9038
2-[3-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-({4-[(E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid

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

8004-9038

Molecular Formula

C40H23N3O10 (C40 H23 N3 O10)

Compound Name

2-[3-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-({4-[(E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid

IUPAC name

2-[3-(5-carboxy-13-dioxo-23-dihydro-1H-isoindol-2-yl)-5-({4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}carbamoyl)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2c3cc(C(Nc4ccc(/C=C/C(c5ccccc5)=O)cc4)=O)cc(N(C(c(cc4)c5cc4C(O)=O)=O)C5=O)c3)=O)c1C2=O)=O

InChI

InChI=1S/C40H23N3O10/c44-33(22-4-2-1-3-5-22)15-8-21-6-11-26(12-7-21)41-34(45)25-16-27(42-35(46)29-13-9-23(39(50)51)18-31(29)37(42)48)20-28(17-25)43-36(47)30-14-10-24(40(52)53)19-32(30)38(43)49/h1-20H,(H,41,45)(H,50,51)(H,52,53)

InChI Key

WJWRDBNAUIUGIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

705.64

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.320

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-5.91

Polar Surface Area

150.404

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-9038 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-9038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9038?
Check Price and Availability of 8004-9038, 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 8004-9038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9038
  • 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 8004-9038 available by request