8005-9462 Screening compound: 2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

8005-9462 Screening compound: 2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
8005-9462 Screening compound: 2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9462
2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic 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

8005-9462

Molecular Formula

C22H13N3O4 (C22 H13 N3 O4)

Compound Name

2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-[4-(1H-13-benzodiazol-2-yl)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2c(cc3)ccc3-c3nc(cccc4)c4[nH]3)=O)c1C2=O)=O

InChI

InChI=1S/C22H13N3O4/c26-20-15-10-7-13(22(28)29)11-16(15)21(27)25(20)14-8-5-12(6-9-14)19-23-17-3-1-2-4-18(17)24-19/h1-11H,(H,23,24)(H,28,29)

InChI Key

SKTYLQRISWBFMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00335200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

0.162

Water Solubility, LogSw

-4.35

Polar Surface Area

76.307

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-9462 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8005-9462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9462?
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What is the minimum amount of 8005-9462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9462
  • 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 8005-9462 available by request