8009-2702 Screening compound: 1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)-1-cyclohexanol

8009-2702 Screening compound: 1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)-1-cyclohexanol
8009-2702 Screening compound: 1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2702
1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)-1-cyclohexanol

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

8009-2702

Molecular Formula

C15H19NOS3 (C15 H19 NOS3)

Compound Name

1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)-1-cyclohexanol

IUPAC name

1-[(13-benzothiazol-2-ylsulfanyl)methyl]-2-(methylsulfanyl)cyclohexan-1-ol

SMILES

CSC(CCCC1)C1(CSc1nc(cccc2)c2s1)O

InChI

InChI=1S/C15H19NOS3/c1-18-13-8-4-5-9-15(13,17)10-19-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,13,17H,4-5,8-10H2,1H3

InChI Key

OXHBWMPKGGPMAO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.33

Polar Surface Area

24.707

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

8009-2702 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2702?
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What is the minimum amount of 8009-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2702
  • 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 8009-2702 available by request