Y032-4727 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,3,4-thiadiazol-2-yl}tetrahydro-2-furancarboxamide

Y032-4727 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,3,4-thiadiazol-2-yl}tetrahydro-2-furancarboxamide
Y032-4727 Screening compound: N-{5-[1-(2-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,3,4-thiadiazol-2-yl}tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4727
N-{5-[1-(2-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,3,4-thiadiazol-2-yl}tetrahydro-2-furancarboxamide

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

Y032-4727

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

N-{5-[1-(2-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,3,4-thiadiazol-2-yl}tetrahydro-2-furancarboxamide

IUPAC name

N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}oxolane-2-carboxamide

SMILES

Cc(cccc1)c1N(CC(C1)c2nnc(NC(C3OCCC3)=O)s2)C1=O

InChI

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

InChI Key

GBVUHSXKXRIIKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09443424

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.60

Polar Surface Area

71.464

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

Y032-4727 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-4727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4727?
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What is the minimum amount of Y032-4727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4727
  • 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 Y032-4727 available by request