D294-0459 Screening compound: N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

D294-0459 Screening compound: N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
D294-0459 Screening compound: N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-0459
N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

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

D294-0459

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

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

IUPAC name

N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-3-methylbenzamide

SMILES

CCc(cc1)ccc1N(CC(C1)c2nnc(NC(c3cc(C)ccc3)=O)s2)C1=O

InChI

InChI=1S/C22H22N4O2S/c1-3-15-7-9-18(10-8-15)26-13-17(12-19(26)27)21-24-25-22(29-21)23-20(28)16-6-4-5-14(2)11-16/h4-11,17H,3,12-13H2,1-2H3,(H,23,25,28)/t17-/m0/s1

InChI Key

BOUWONNSQSXFRI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09270533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-4.25

Polar Surface Area

63.353

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D294-0459 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-0459?
Check Price and Availability of D294-0459, 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 D294-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-0459
  • 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 D294-0459 available by request