D294-2586 Screening compound: 2-(benzylsulfanyl)-N-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide

D294-2586 Screening compound: 2-(benzylsulfanyl)-N-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide
D294-2586 Screening compound: 2-(benzylsulfanyl)-N-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-2586
2-(benzylsulfanyl)-N-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide

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

D294-2586

Molecular Formula

C23H24N4O2S2 (C23 H24 N4 O2 S2)

Compound Name

2-(benzylsulfanyl)-N-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

2-(benzylsulfanyl)-N-{5-[1-(34-dimethylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}acetamide

SMILES

Cc(cc1)c(C)cc1N(CC(C1)c2nnc(NC(CSCc3ccccc3)=O)s2)C1=O

InChI

InChI=1S/C23H24N4O2S2/c1-15-8-9-19(10-16(15)2)27-12-18(11-21(27)29)22-25-26-23(31-22)24-20(28)14-30-13-17-6-4-3-5-7-17/h3-10,18H,11-14H2,1-2H3,(H,24,26,28)/t18-/m0/s1

InChI Key

ICGOQNPRYPSKCJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09270464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.47

Polar Surface Area

63.140

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D294-2586 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D294-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-2586?
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What is the minimum amount of D294-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-2586
  • 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 D294-2586 available by request