D336-1929 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

D336-1929 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
D336-1929 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1929
N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

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

D336-1929

Molecular Formula

C19H19N3O2S2 (C19 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H19N3O2S2/c1-3-17(23)20-13-8-9-15-16(10-13)26-19(22-15)25-11-18(24)21-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,24)

InChI Key

HGNGMNVJWNTKOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03355764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

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

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-3.81

Polar Surface Area

54.649

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D336-1929 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 D336-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1929?
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What is the minimum amount of D336-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1929
  • 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 D336-1929 available by request