D336-1939 Screening compound: 2-ethyl-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide

D336-1939 Screening compound: 2-ethyl-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
D336-1939 Screening compound: 2-ethyl-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1939
2-ethyl-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide

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

D336-1939

Molecular Formula

C22H25N3O2S2 (C22 H25 N3 O2 S2)

Compound Name

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

IUPAC name

2-ethyl-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]butanamide

SMILES

CCC(CC)C(Nc(cc1)cc2c1nc(SCC(Nc1c(C)cccc1)=O)s2)=O

InChI

InChI=1S/C22H25N3O2S2/c1-4-15(5-2)21(27)23-16-10-11-18-19(12-16)29-22(25-18)28-13-20(26)24-17-9-7-6-8-14(17)3/h6-12,15H,4-5,13H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

DUIYYOQARAJUMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

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

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-4.56

Polar Surface Area

54.863

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D336-1939 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D336-1939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1939?
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What is the minimum amount of D336-1939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1939
  • 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 D336-1939 available by request