8014-5652 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclopentylacetamide

8014-5652 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclopentylacetamide
8014-5652 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5652
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclopentylacetamide

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

8014-5652

Molecular Formula

C14H15ClN2OS2 (C14 H15 ClN2 OS2)

Compound Name

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclopentylacetamide

IUPAC name

2-[(5-chloro-13-benzothiazol-2-yl)sulfanyl]-N-cyclopentylacetamide

SMILES

O=C(CSc1nc(cc(cc2)Cl)c2s1)NC1CCCC1

InChI

InChI=1S/C14H15ClN2OS2/c15-9-5-6-12-11(7-9)17-14(20-12)19-8-13(18)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,18)

InChI Key

FNGIXOADAMIJAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03484764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.49

Polar Surface Area

33.611

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8014-5652 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-5652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5652?
Check Price and Availability of 8014-5652, 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 8014-5652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5652
  • 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 8014-5652 available by request