D294-3326 Screening compound: N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

D294-3326 Screening compound: N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide
D294-3326 Screening compound: N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-3326
N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

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

D294-3326

Molecular Formula

C22H22N4O3S2 (C22 H22 N4 O3 S2)

Compound Name

N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

IUPAC name

N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

SMILES

COc(cc1)ccc1N(CC(C1)c2nnc(NC(CCSc3ccccc3)=O)s2)C1=O

InChI

InChI=1S/C22H22N4O3S2/c1-29-17-9-7-16(8-10-17)26-14-15(13-20(26)28)21-24-25-22(31-21)23-19(27)11-12-30-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,25,27)/t15-/m0/s1

InChI Key

SZZTVAQUZLWIRC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09443550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.72

Polar Surface Area

70.683

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D294-3326 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-3326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-3326?
Check Price and Availability of D294-3326, 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 D294-3326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-3326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-3326
  • 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 D294-3326 available by request