Y031-4273 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

Y031-4273 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
Y031-4273 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4273
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-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

Y031-4273

Molecular Formula

C22H20ClFN4O2S (C22 H20 ClFN4 O2 S)

Compound Name

N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-134-thiadiazol-2-yl}-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc(cc2)ccc2F)C1=O)Nc1nnc(Cc(cc2)ccc2Cl)s1

InChI

InChI=1S/C22H20ClFN4O2S/c23-17-5-1-15(2-6-17)11-19-26-27-22(31-19)25-21(30)16-12-20(29)28(13-16)10-9-14-3-7-18(24)8-4-14/h1-8,16H,9-13H2,(H,25,27,30)/t16-/m0/s1

InChI Key

ASCQOCYWCDWOSK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08091247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.88

Polar Surface Area

64.272

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y031-4273 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-4273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4273?
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What is the minimum amount of Y031-4273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4273
  • 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 Y031-4273 available by request