D336-5580 Screening compound: 4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-5580 Screening compound: 4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-5580 Screening compound: 4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-5580
4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

D336-5580

Molecular Formula

C23H20N2O2S2 (C23 H20 N2 O2 S2)

Compound Name

4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-methoxy-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

Cc1ccc(CSc2nc(ccc(NC(c(cc3)ccc3OC)=O)c3)c3s2)cc1

InChI

InChI=1S/C23H20N2O2S2/c1-15-3-5-16(6-4-15)14-28-23-25-20-12-9-18(13-21(20)29-23)24-22(26)17-7-10-19(27-2)11-8-17/h3-13H,14H2,1-2H3,(H,24,26)

InChI Key

GFAGOWOPFDAZKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.870

Distribution Coefficient, logD

5.870

Water Solubility, LogSw

-5.43

Polar Surface Area

39.683

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D336-5580 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D336-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-5580?
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What is the minimum amount of D336-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-5580
  • 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 D336-5580 available by request