8008-4955 Screening compound: 2-amino-4-(4-chlorophenyl)-5-cyano-6-(1-pyrrolidinyl)-3-pyridyl cyanide

8008-4955 Screening compound: 2-amino-4-(4-chlorophenyl)-5-cyano-6-(1-pyrrolidinyl)-3-pyridyl cyanide
8008-4955 Screening compound: 2-amino-4-(4-chlorophenyl)-5-cyano-6-(1-pyrrolidinyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4955
2-amino-4-(4-chlorophenyl)-5-cyano-6-(1-pyrrolidinyl)-3-pyridyl cyanide

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

8008-4955

Molecular Formula

C17H14ClN5 (C17 H14 ClN5)

Compound Name

2-amino-4-(4-chlorophenyl)-5-cyano-6-(1-pyrrolidinyl)-3-pyridyl cyanide

IUPAC name

2-amino-4-(4-chlorophenyl)-6-(pyrrolidin-1-yl)pyridine-35-dicarbonitrile

SMILES

Nc(nc(c(C#N)c1-c(cc2)ccc2Cl)N2CCCC2)c1C#N

InChI

InChI=1S/C17H14ClN5/c18-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)23-7-1-2-8-23/h3-6H,1-2,7-8H2,(H2,21,22)

InChI Key

XNFWPMDZZXHZFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.96

Polar Surface Area

67.143

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8008-4955 in Drug Discovery

Included in Screening Libraries

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 8008-4955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4955?
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What is the minimum amount of 8008-4955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4955
  • 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 8008-4955 available by request