3693-0035 Screening compound: 2-[(4-cyclohexylphenyl)amino]-4,6-dimethylpyridine-3-carbonitrile

3693-0035 Screening compound: 2-[(4-cyclohexylphenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
3693-0035 Screening compound: 2-[(4-cyclohexylphenyl)amino]-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3693-0035
2-[(4-cyclohexylphenyl)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

3693-0035

Molecular Formula

C20H23N3 (C20 H23 N3)

Compound Name

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

IUPAC name

2-[(4-cyclohexylphenyl)amino]-46-dimethylpyridine-3-carbonitrile

SMILES

Cc1cc(C)nc(Nc2ccc(C3CCCCC3)cc2)c1C#N

InChI

InChI=1S/C20H23N3/c1-14-12-15(2)22-20(19(14)13-21)23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,22,23)

InChI Key

VDERQSGDJUJWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

5.631

Water Solubility, LogSw

-5.59

Polar Surface Area

35.190

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3693-0035 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3693-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3693-0035?
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What is the minimum amount of 3693-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3693-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3693-0035
  • 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 3693-0035 available by request