D336-2563 Screening compound: N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide

D336-2563 Screening compound: N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
D336-2563 Screening compound: N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2563
N-[2-({[(3-methoxyphenyl)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

D336-2563

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

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

IUPAC name

N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]furan-2-carboxamide

SMILES

COc1cccc(NC(CSc2nc(ccc(NC(c3ccco3)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C21H17N3O4S2/c1-27-15-5-2-4-13(10-15)22-19(25)12-29-21-24-16-8-7-14(11-18(16)30-21)23-20(26)17-6-3-9-28-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26)

InChI Key

WQYQLTRHDIBURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.478

Water Solubility, LogSw

-4.40

Polar Surface Area

71.411

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D336-2563 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2563?
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What is the minimum amount of D336-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2563
  • 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 D336-2563 available by request