D336-2856 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-methylbutanamide

D336-2856 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-methylbutanamide
D336-2856 Screening compound: N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2856
N-[2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-methylbutanamide

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

D336-2856

Molecular Formula

C22H25N3O2S2 (C22 H25 N3 O2 S2)

Compound Name

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

IUPAC name

N-[2-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)cc2c1nc(SCC(Nc1cc(C)cc(C)c1)=O)s2)=O

InChI

InChI=1S/C22H25N3O2S2/c1-13(2)7-20(26)23-16-5-6-18-19(11-16)29-22(25-18)28-12-21(27)24-17-9-14(3)8-15(4)10-17/h5-6,8-11,13H,7,12H2,1-4H3,(H,23,26)(H,24,27)

InChI Key

PFWNFUOWZXVNHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.631

Distribution Coefficient, logD

5.631

Water Solubility, LogSw

-5.37

Polar Surface Area

55.347

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D336-2856 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 D336-2856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2856?
Check Price and Availability of D336-2856, 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 D336-2856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2856
  • 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 D336-2856 available by request