D336-3876 Screening compound: 4-methoxy-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-3876 Screening compound: 4-methoxy-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-3876 Screening compound: 4-methoxy-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3876
4-methoxy-N-(2-{[2-(3-methylphenoxy)ethyl]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

D336-3876

Molecular Formula

C24H22N2O3S2 (C24 H22 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCCSc2nc(ccc(NC(c(cc3)ccc3OC)=O)c3)c3s2)c1

InChI

InChI=1S/C24H22N2O3S2/c1-16-4-3-5-20(14-16)29-12-13-30-24-26-21-11-8-18(15-22(21)31-24)25-23(27)17-6-9-19(28-2)10-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)

InChI Key

QFBYJPLMGQQCNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

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

6.134

Distribution Coefficient, logD

6.134

Water Solubility, LogSw

-5.43

Polar Surface Area

47.101

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D336-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3876?
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What is the minimum amount of D336-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3876
  • 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 D336-3876 available by request