D336-4999 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide

D336-4999 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide
D336-4999 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4999
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide

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

D336-4999

Molecular Formula

C23H20N2O2S2 (C23 H20 N2 O2 S2)

Compound Name

N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide

IUPAC name

N-[2-(benzylsulfanyl)-13-benzothiazol-6-yl]-2-(4-methylphenoxy)acetamide

SMILES

Cc(cc1)ccc1OCC(Nc(cc1)cc2c1nc(SCc1ccccc1)s2)=O

InChI

InChI=1S/C23H20N2O2S2/c1-16-7-10-19(11-8-16)27-14-22(26)24-18-9-12-20-21(13-18)29-23(25-20)28-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,26)

InChI Key

ZXBMRWKCVOWAGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820129

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

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-5.44

Polar Surface Area

39.425

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D336-4999 in Drug Discovery

Included in Screening Libraries

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 D336-4999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4999?
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What is the minimum amount of D336-4999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4999
  • 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 D336-4999 available by request