Y042-3764 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3764 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3764 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3764
1-(3-chloro-4-fluorophenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

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

Y042-3764

Molecular Formula

C16H16ClFN4O2S (C16 H16 ClFN4 O2 S)

Compound Name

1-(3-chloro-4-fluorophenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

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

SMILES

CC(C)c1nnc(NC(C(CC2=O)CN2c(cc2)cc(Cl)c2F)=O)s1

InChI

InChI=1S/C16H16ClFN4O2S/c1-8(2)15-20-21-16(25-15)19-14(24)9-5-13(23)22(7-9)10-3-4-12(18)11(17)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,21,24)/t9-/m1/s1

InChI Key

HWSQSMOIXSUFAE-SECBINFHSA-N

MDL Number (MFCD)

MFCD09459515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

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

2.986

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-3.53

Polar Surface Area

63.624

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y042-3764 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3764?
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What is the minimum amount of Y042-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3764
  • 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 Y042-3764 available by request