D294-3413 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

D294-3413 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide
D294-3413 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-3413
N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

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

D294-3413

Molecular Formula

C23H24N4O4S2 (C23 H24 N4 O4 S2)

Compound Name

N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

IUPAC name

N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

SMILES

Cc(cccc1)c1N(CC(C1)c2nnc(NC(CCS(Cc3ccccc3)(=O)=O)=O)s2)C1=O

InChI

InChI=1S/C23H24N4O4S2/c1-16-7-5-6-10-19(16)27-14-18(13-21(27)29)22-25-26-23(32-22)24-20(28)11-12-33(30,31)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,24,26,28)/t18-/m0/s1

InChI Key

LOAABUFNWORWTJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09270481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-2.66

Polar Surface Area

91.139

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D294-3413 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-3413?
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What is the minimum amount of D294-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-3413
  • 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 D294-3413 available by request