D336-2363 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

D336-2363 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
D336-2363 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2363
N-[2-({[(4-chlorophenyl)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

D336-2363

Molecular Formula

C22H22ClN3O2S2 (C22 H22 ClN3 O2 S2)

Compound Name

N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

IUPAC name

N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]cyclohexanecarboxamide

SMILES

O=C(CSc1nc(ccc(NC(C2CCCCC2)=O)c2)c2s1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C22H22ClN3O2S2/c23-15-6-8-16(9-7-15)24-20(27)13-29-22-26-18-11-10-17(12-19(18)30-22)25-21(28)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,24,27)(H,25,28)

InChI Key

HFJVCZSGHJVMFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.838

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-6.12

Polar Surface Area

55.481

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D336-2363 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D336-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2363?
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What is the minimum amount of D336-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2363
  • 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 D336-2363 available by request