D336-2350 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide

D336-2350 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
D336-2350 Screening compound: N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2350
N-[2-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-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

D336-2350

Molecular Formula

C20H14ClN3O3S2 (C20 H14 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(ccc(NC(c2ccco2)=O)c2)c2s1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C20H14ClN3O3S2/c21-12-3-5-13(6-4-12)22-18(25)11-28-20-24-15-8-7-14(10-17(15)29-20)23-19(26)16-2-1-9-27-16/h1-10H,11H2,(H,22,25)(H,23,26)

InChI Key

TXNYEHQGTCBGKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-5.21

Polar Surface Area

63.867

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D336-2350 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D336-2350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2350?
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What is the minimum amount of D336-2350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2350
  • 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 D336-2350 available by request