D336-4639 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide

D336-4639 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
D336-4639 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4639
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide

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

D336-4639

Molecular Formula

C25H24N2O3S2 (C25 H24 N2 O3 S2)

Compound Name

N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide

IUPAC name

N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-13-benzothiazol-6-yl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc3c2nc(SCCOc(ccc(C)c2)c2OC)s3)=O)c1

InChI

InChI=1S/C25H24N2O3S2/c1-16-5-4-6-18(13-16)24(28)26-19-8-9-20-23(15-19)32-25(27-20)31-12-11-30-21-10-7-17(2)14-22(21)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,26,28)

InChI Key

JUVQUAQSRFJKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.059

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.43

Polar Surface Area

47.274

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D336-4639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4639?
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What is the minimum amount of D336-4639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4639
  • 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 D336-4639 available by request