C239-0666 Screening compound: 6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[1,2-a]pyridin-3-amine

C239-0666 Screening compound: 6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[1,2-a]pyridin-3-amine
C239-0666 Screening compound: 6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[1,2-a]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C239-0666
6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[1,2-a]pyridin-3-amine

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

C239-0666

Molecular Formula

C20H19BrClN3 (C20 H19 BrClN3)

Compound Name

6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[1,2-a]pyridin-3-amine

IUPAC name

6-bromo-2-[(1Z)-1-chloro-2-phenylethenyl]-N-cyclopentylimidazo[12-a]pyridin-3-amine

SMILES

Cl/C(/c1c(NC2CCCC2)n(cc(cc2)Br)c2n1)=C\c1ccccc1

InChI

InChI=1S/C20H19BrClN3/c21-15-10-11-18-24-19(17(22)12-14-6-2-1-3-7-14)20(25(18)13-15)23-16-8-4-5-9-16/h1-3,6-7,10-13,16,23H,4-5,8-9H2

InChI Key

KZKCDRSDFAWKOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.75

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.172

Distribution Coefficient, logD

6.172

Water Solubility, LogSw

-6.49

Polar Surface Area

18.985

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C239-0666 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C239-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C239-0666?
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What is the minimum amount of C239-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C239-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C239-0666
  • 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 C239-0666 available by request