C796-0322 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde

C796-0322 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde
C796-0322 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0322
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde

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

C796-0322

Molecular Formula

C11H10N4O2S (C11 H10 N4 O2 S)

Compound Name

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde

IUPAC name

1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrole-2-carbaldehyde

SMILES

O=Cc1cccn1-c1nnc(N(CCC2)C2=O)s1

InChI

InChI=1S/C11H10N4O2S/c16-7-8-3-1-5-14(8)10-12-13-11(18-10)15-6-2-4-9(15)17/h1,3,5,7H,2,4,6H2

InChI Key

KILWZLXNCLCHSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-1.90

Polar Surface Area

56.877

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C796-0322 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C796-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0322?
Check Price and Availability of C796-0322, 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 C796-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0322
  • 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 C796-0322 available by request