D336-2365 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-ethylbutanamide

D336-2365 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-ethylbutanamide
D336-2365 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2365
N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-ethylbutanamide

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

D336-2365

Molecular Formula

C21H22ClN3O2S2 (C21 H22 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1Cl)=O)s2)=O

InChI

InChI=1S/C21H22ClN3O2S2/c1-3-13(4-2)20(27)24-16-9-10-17-18(11-16)29-21(25-17)28-12-19(26)23-15-7-5-14(22)6-8-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,26)(H,24,27)

InChI Key

HFNNAWUNGXSDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.01

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

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.89

Polar Surface Area

55.560

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D336-2365 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D336-2365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2365?
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What is the minimum amount of D336-2365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2365
  • 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 D336-2365 available by request