D336-2866 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

D336-2866 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide
D336-2866 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2866
N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

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

D336-2866

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

IUPAC name

N-[2-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-phenoxyacetamide

SMILES

Cc1cc(NC(CSc2nc(ccc(NC(COc3ccccc3)=O)c3)c3s2)=O)cc(C)c1

InChI

InChI=1S/C25H23N3O3S2/c1-16-10-17(2)12-19(11-16)27-24(30)15-32-25-28-21-9-8-18(13-22(21)33-25)26-23(29)14-31-20-6-4-3-5-7-20/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,30)

InChI Key

BPYRDTRXHNTTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03877205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.838

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.42

Polar Surface Area

62.575

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D336-2866 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D336-2866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2866?
Check Price and Availability of D336-2866, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D336-2866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2866
  • 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 D336-2866 available by request