8013-3484 Screening compound: 2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole

8013-3484 Screening compound: 2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole
8013-3484 Screening compound: 2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3484
2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole

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

8013-3484

Molecular Formula

C15H20N2S (C15 H20 N2 S)

Compound Name

2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole

IUPAC name

2-[(2-cyclohexylethyl)sulfanyl]-1H-13-benzodiazole

SMILES

C(CSc1nc(cccc2)c2[nH]1)C1CCCCC1

InChI

InChI=1S/C15H20N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,17)

InChI Key

WFMFKUYAHAVLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01334094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.49

Polar Surface Area

18.172

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8013-3484 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-3484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3484?
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What is the minimum amount of 8013-3484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3484
  • 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 8013-3484 available by request