D336-4656 Screening compound: 2-methoxy-N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-4656 Screening compound: 2-methoxy-N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-4656 Screening compound: 2-methoxy-N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4656
2-methoxy-N-(2-{[2-(2-methoxy-4-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

D336-4656

Molecular Formula

C25H24N2O4S2 (C25 H24 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(OC)c1OCCSc1nc(ccc(NC(c(cccc2)c2OC)=O)c2)c2s1

InChI

InChI=1S/C25H24N2O4S2/c1-16-8-11-21(22(14-16)30-3)31-12-13-32-25-27-19-10-9-17(15-23(19)33-25)26-24(28)18-6-4-5-7-20(18)29-2/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)

InChI Key

MVNSGZCANUUVGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.39

Polar Surface Area

54.905

Acid Dissociation Constant (pKa)

8.98

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 D336-4656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4656?
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What is the minimum amount of D336-4656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4656
  • 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 D336-4656 available by request