8009-0253 Screening compound: N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

8009-0253 Screening compound: N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
8009-0253 Screening compound: N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0253
N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-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

8009-0253

Molecular Formula

C24H27N3O2S2 (C24 H27 N3 O2 S2)

Compound Name

N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

IUPAC name

N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]cyclohexanecarboxamide

SMILES

O=C(CSc1nc(ccc(NC(C2CCCCC2)=O)c2)c2s1)NCCc1ccccc1

InChI

InChI=1S/C24H27N3O2S2/c28-22(25-14-13-17-7-3-1-4-8-17)16-30-24-27-20-12-11-19(15-21(20)31-24)26-23(29)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13-14,16H2,(H,25,28)(H,26,29)

InChI Key

MBYYZBRVYGPZGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.57

Polar Surface Area

56.645

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8009-0253 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8009-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0253?
Check Price and Availability of 8009-0253, 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 8009-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0253
  • 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 8009-0253 available by request