D086-0338 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

D086-0338 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one
D086-0338 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0338
5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(5-chloro-2-methylphenyl)-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

D086-0338

Molecular Formula

C18H15ClN4O (C18 H15 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1N(CC1=O)C(N)=C1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H15ClN4O/c1-10-6-7-11(19)8-14(10)23-9-15(24)16(17(23)20)18-21-12-4-2-3-5-13(12)22-18/h2-8H,9,20H2,1H3,(H,21,22)

InChI Key

WFRABNLNMCDNCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.8

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

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.79

Polar Surface Area

55.689

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D086-0338 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D086-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0338?
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What is the minimum amount of D086-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0338
  • 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 D086-0338 available by request