Y031-2904 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

Y031-2904 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
Y031-2904 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2904
1-(4-fluorophenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

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

Y031-2904

Molecular Formula

C13H11FN4O2S (C13 H11 FN4 O2 S)

Compound Name

1-(4-fluorophenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

IUPAC name

1-(4-fluorophenyl)-5-oxo-N-(134-thiadiazol-2-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1F)Nc1nncs1

InChI

InChI=1S/C13H11FN4O2S/c14-9-1-3-10(4-2-9)18-6-8(5-11(18)19)12(20)16-13-17-15-7-21-13/h1-4,7-8H,5-6H2,(H,16,17,20)/t8-/m0/s1

InChI Key

HKZGRVCRKGCTLQ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD07134765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

0.870

Water Solubility, LogSw

-2.19

Polar Surface Area

63.655

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

Y031-2904 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-2904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2904?
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What is the minimum amount of Y031-2904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2904
  • 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 Y031-2904 available by request