Y031-2945 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Y031-2945 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Y031-2945 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2945
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-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

Y031-2945

Molecular Formula

C15H15FN4O2S (C15 H15 FN4 O2 S)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCc1nnc(NC(C(CC2=O)CN2c(cc2)ccc2F)=O)s1

InChI

InChI=1S/C15H15FN4O2S/c1-2-12-18-19-15(23-12)17-14(22)9-7-13(21)20(8-9)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,19,22)/t9-/m0/s1

InChI Key

VJIKHAXZLHIQLI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD07134834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.057

Distribution Coefficient, logD

1.461

Water Solubility, LogSw

-2.75

Polar Surface Area

64.120

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y031-2945 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2945?
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What is the minimum amount of Y031-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2945
  • 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 Y031-2945 available by request