Y042-3732 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3732 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3732 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3732
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-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

Y042-3732

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(NC(C(CC2=O)CN2c2cc(OC)ccc2)=O)s1

InChI

InChI=1S/C16H18N4O3S/c1-3-13-18-19-16(24-13)17-15(22)10-7-14(21)20(9-10)11-5-4-6-12(8-11)23-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,19,22)/t10-/m0/s1

InChI Key

MTDKDRWUJXODCJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD12217420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

1.571

Water Solubility, LogSw

-2.95

Polar Surface Area

71.664

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y042-3732 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 Y042-3732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3732?
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What is the minimum amount of Y042-3732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3732
  • 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 Y042-3732 available by request