1037-1139 Screening compound: 5-amino-2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

1037-1139 Screening compound: 5-amino-2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
1037-1139 Screening compound: 5-amino-2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1037-1139
5-amino-2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

1037-1139

Molecular Formula

C21H14N4O2 (C21 H14 N4 O2)

Compound Name

5-amino-2-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-amino-2-[4-(1H-13-benzodiazol-2-yl)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

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

InChI

InChI=1S/C21H14N4O2/c22-13-7-10-15-16(11-13)21(27)25(20(15)26)14-8-5-12(6-9-14)19-23-17-3-1-2-4-18(17)24-19/h1-11H,22H2,(H,23,24)

InChI Key

URUWECVKIUSUHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-4.03

Polar Surface Area

68.705

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1037-1139 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1037-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1037-1139?
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What is the minimum amount of 1037-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1037-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1037-1139
  • 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 1037-1139 available by request