D336-1852 Screening compound: N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

D336-1852 Screening compound: N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
D336-1852 Screening compound: N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1852
N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-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

D336-1852

Molecular Formula

C20H15N3O2S3 (C20 H15 N3 O2 S3)

Compound Name

N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

IUPAC name

N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)thiophene-2-carboxamide

SMILES

O=C(CSc1nc(ccc(NC(c2cccs2)=O)c2)c2s1)Nc1ccccc1

InChI

InChI=1S/C20H15N3O2S3/c24-18(21-13-5-2-1-3-6-13)12-27-20-23-15-9-8-14(11-17(15)28-20)22-19(25)16-7-4-10-26-16/h1-11H,12H2,(H,21,24)(H,22,25)

InChI Key

FOXAURXSZPBGFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.56

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

4.860

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.85

Polar Surface Area

56.307

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with D336-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1852?
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What is the minimum amount of D336-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1852
  • 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 D336-1852 available by request