8018-8688 Screening compound: 2-amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

8018-8688 Screening compound: 2-amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
8018-8688 Screening compound: 2-amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8688
2-amino-1-(3-chlorophenyl)-4,5-dimethyl-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

8018-8688

Molecular Formula

C13H12ClN3 (C13 H12 ClN3)

Compound Name

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

IUPAC name

2-amino-1-(3-chlorophenyl)-45-dimethyl-1H-pyrrole-3-carbonitrile

SMILES

Cc(c(C#N)c1N)c(C)n1-c1cccc(Cl)c1

InChI

InChI=1S/C13H12ClN3/c1-8-9(2)17(13(16)12(8)7-15)11-5-3-4-10(14)6-11/h3-6H,16H2,1-2H3

InChI Key

LAICMSHWIXBOHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08445345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.71

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.66

Polar Surface Area

38.986

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8018-8688 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-8688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8688?
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What is the minimum amount of 8018-8688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8688
  • 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 8018-8688 available by request