D336-1963 Screening compound: 3,4-dimethoxy-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-1963 Screening compound: 3,4-dimethoxy-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-1963 Screening compound: 3,4-dimethoxy-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1963
3,4-dimethoxy-N-[2-({[(2-methylphenyl)carbamoyl]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

D336-1963

Molecular Formula

C25H23N3O4S2 (C25 H23 N3 O4 S2)

Compound Name

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

IUPAC name

34-dimethoxy-N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

Cc(cccc1)c1NC(CSc1nc(ccc(NC(c(cc2)cc(OC)c2OC)=O)c2)c2s1)=O

InChI

InChI=1S/C25H23N3O4S2/c1-15-6-4-5-7-18(15)27-23(29)14-33-25-28-19-10-9-17(13-22(19)34-25)26-24(30)16-8-11-20(31-2)21(12-16)32-3/h4-13H,14H2,1-3H3,(H,26,30)(H,27,29)

InChI Key

WGOXCNFYVHRXLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03878274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.43

Polar Surface Area

69.852

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D336-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1963?
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What is the minimum amount of D336-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1963
  • 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 D336-1963 available by request