8018-8463 Screening compound: 2-amino-1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

8018-8463 Screening compound: 2-amino-1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
8018-8463 Screening compound: 2-amino-1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8463
2-amino-1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

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

8018-8463

Molecular Formula

C11H8ClN3O (C11 H8 ClN3 O)

Compound Name

2-amino-1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

IUPAC name

2-amino-1-(4-chlorophenyl)-5-oxo-45-dihydro-1H-pyrrole-3-carbonitrile

SMILES

NC(N(C(C1)=O)c(cc2)ccc2Cl)=C1C#N

InChI

InChI=1S/C11H8ClN3O/c12-8-1-3-9(4-2-8)15-10(16)5-7(6-13)11(15)14/h1-4H,5,14H2

InChI Key

SKDFEZVCPXFKTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.246

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-2.36

Polar Surface Area

53.498

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8018-8463 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8463?
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What is the minimum amount of 8018-8463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8463
  • 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 8018-8463 available by request