8294-0245 Screening compound: 6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

8294-0245 Screening compound: 6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
8294-0245 Screening compound: 6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8294-0245
6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-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

8294-0245

Molecular Formula

C27H32N2S (C27 H32 N2 S)

Compound Name

6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

SMILES

CC(C)(C)c1ccc(CSc2nc(C3(CC(C4)C5)CC5CC4C3)ccc2C#N)cc1

InChI

InChI=1S/C27H32N2S/c1-26(2,3)23-7-4-18(5-8-23)17-30-25-22(16-28)6-9-24(29-25)27-13-19-10-20(14-27)12-21(11-19)15-27/h4-9,19-21H,10-15,17H2,1-3H3

InChI Key

ZCIHIGLKDQRWIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03730241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.222

Distribution Coefficient, logD

8.222

Water Solubility, LogSw

-6.15

Polar Surface Area

25.532

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8294-0245 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8294-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8294-0245?
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What is the minimum amount of 8294-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8294-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8294-0245
  • 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 8294-0245 available by request