D336-1938 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

D336-1938 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide
D336-1938 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1938
N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

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

D336-1938

Molecular Formula

C27H29N3O2S2 (C27 H29 N3 O2 S2)

Compound Name

N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

IUPAC name

(3R5S7s)-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]adamantane-1-carboxamide

SMILES

Cc(cccc1)c1NC(CSc1nc(ccc(NC(C2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)=O)c2)c2s1)=O

InChI

InChI=1S/C27H29N3O2S2/c1-16-4-2-3-5-21(16)29-24(31)15-33-26-30-22-7-6-20(11-23(22)34-26)28-25(32)27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)(H,29,31)

InChI Key

CZLMKPJUCZARER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.68

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

6.621

Distribution Coefficient, logD

6.621

Water Solubility, LogSw

-5.65

Polar Surface Area

54.624

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D336-1938 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D336-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1938?
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What is the minimum amount of D336-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1938
  • 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 D336-1938 available by request