Y042-3976 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3976 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3976 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3976
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxybenzyl)-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

Y042-3976

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(5-cyclopropyl-134-thiadiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc1c(CN(CC(C2)C(Nc3nnc(C4CC4)s3)=O)C2=O)cccc1

InChI

InChI=1S/C18H20N4O3S/c1-25-14-5-3-2-4-12(14)9-22-10-13(8-15(22)23)16(24)19-18-21-20-17(26-18)11-6-7-11/h2-5,11,13H,6-10H2,1H3,(H,19,21,24)/t13-/m0/s1

InChI Key

XNDNVIKHZPNHSZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12211343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

1.826

Water Solubility, LogSw

-2.75

Polar Surface Area

71.952

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

Y042-3976 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 Y042-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3976?
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What is the minimum amount of Y042-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3976
  • 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 Y042-3976 available by request