Y042-3738 Screening compound: 1-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3738 Screening compound: 1-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3738 Screening compound: 1-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3738
1-(3-chlorophenyl)-N-(5-ethyl-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

Y042-3738

Molecular Formula

C15H15ClN4O2S (C15 H15 ClN4 O2 S)

Compound Name

1-(3-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

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

SMILES

CCc1nnc(NC(C(CC2=O)CN2c2cccc(Cl)c2)=O)s1

InChI

InChI=1S/C15H15ClN4O2S/c1-2-12-18-19-15(23-12)17-14(22)9-6-13(21)20(8-9)11-5-3-4-10(16)7-11/h3-5,7,9H,2,6,8H2,1H3,(H,17,19,22)/t9-/m1/s1

InChI Key

DWEULCKKCRIEKM-SECBINFHSA-N

MDL Number (MFCD)

MFCD07126518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.83

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

2.643

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-3.47

Polar Surface Area

64.120

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-3738 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 Y042-3738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3738?
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What is the minimum amount of Y042-3738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3738
  • 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 Y042-3738 available by request