D336-2715 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide

D336-2715 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide
D336-2715 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2715
N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide

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

D336-2715

Molecular Formula

C22H25N3O2S2 (C22 H25 N3 O2 S2)

Compound Name

N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide

IUPAC name

N-[2-({[(24-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(cc1)cc2c1nc(SCC(Nc1c(C)cc(C)cc1)=O)s2)=O

InChI

InChI=1S/C22H25N3O2S2/c1-13-6-8-16(14(2)10-13)24-19(26)12-28-21-25-17-9-7-15(11-18(17)29-21)23-20(27)22(3,4)5/h6-11H,12H2,1-5H3,(H,23,27)(H,24,26)

InChI Key

UIERNVHOAZJARG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819942

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

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-4.91

Polar Surface Area

54.863

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D336-2715 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D336-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2715?
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What is the minimum amount of D336-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2715
  • 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 D336-2715 available by request