3772-4178 Screening compound: 2-[(3,4-dichlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile

3772-4178 Screening compound: 2-[(3,4-dichlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
3772-4178 Screening compound: 2-[(3,4-dichlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-4178
2-[(3,4-dichlorophenyl)amino]-4,6-dimethylpyridine-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

3772-4178

Molecular Formula

C14H11Cl2N3 (C14 H11 Cl2 N3)

Compound Name

2-[(3,4-dichlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile

IUPAC name

2-[(34-dichlorophenyl)amino]-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1Nc(cc2)cc(Cl)c2Cl)c1C#N

InChI

InChI=1S/C14H11Cl2N3/c1-8-5-9(2)18-14(11(8)7-17)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3,(H,18,19)

InChI Key

JFJUMVBNORIYGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.17

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-5.24

Polar Surface Area

35.269

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3772-4178 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 3772-4178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-4178?
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What is the minimum amount of 3772-4178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-4178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-4178
  • 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 3772-4178 available by request