D086-0032 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrol-3-one

D086-0032 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrol-3-one
D086-0032 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0032
5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrol-3-one

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

D086-0032

Molecular Formula

C17H13ClN4O (C17 H13 ClN4 O)

Compound Name

5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(1H-13-benzodiazol-2-yl)-1-(3-chlorophenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

NC(N(CC1=O)c2cccc(Cl)c2)=C1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C17H13ClN4O/c18-10-4-3-5-11(8-10)22-9-14(23)15(16(22)19)17-20-12-6-1-2-7-13(12)21-17/h1-8H,9,19H2,(H,20,21)

InChI Key

LSIURMXHFSOEPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.44

Polar Surface Area

55.990

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D086-0032 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D086-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0032?
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What is the minimum amount of D086-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0032
  • 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 D086-0032 available by request