8645-0029 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

8645-0029 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
8645-0029 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8645-0029
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

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

8645-0029

Molecular Formula

C15H18N2OS2 (C15 H18 N2 OS2)

Compound Name

N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

IUPAC name

N-[2-(methylsulfanyl)-13-benzothiazol-6-yl]cyclohexanecarboxamide

SMILES

CSc1nc(ccc(NC(C2CCCCC2)=O)c2)c2s1

InChI

InChI=1S/C15H18N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,18)

InChI Key

GWMZRYSJTLLFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.28

Polar Surface Area

32.603

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8645-0029 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8645-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8645-0029?
Check Price and Availability of 8645-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8645-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8645-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8645-0029
  • 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 8645-0029 available by request