Y044-5474 Screening compound: 1-(2-furylmethyl)-N~3~-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide

Y044-5474 Screening compound: 1-(2-furylmethyl)-N~3~-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide
Y044-5474 Screening compound: 1-(2-furylmethyl)-N~3~-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5474
1-(2-furylmethyl)-N~3~-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-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

Y044-5474

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

1-(2-furylmethyl)-N~3~-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-[(furan-2-yl)methyl]-N-{2-methyl-2H4H6H-thieno[34-c]pyrazol-3-yl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cn1nc(CSC2)c2c1NC(C(C1)CN(Cc2ccco2)C1=O)=O

InChI

InChI=1S/C16H18N4O3S/c1-19-15(12-8-24-9-13(12)18-19)17-16(22)10-5-14(21)20(6-10)7-11-3-2-4-23-11/h2-4,10H,5-9H2,1H3,(H,17,22)/t10-/m0/s1

InChI Key

WRIFWUDAZVONSS-JTQLQIEISA-N

MDL Number (MFCD)

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.558

Distribution Coefficient, logD

0.557

Water Solubility, LogSw

-2.21

Polar Surface Area

63.996

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

Y044-5474 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 Y044-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5474?
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What is the minimum amount of Y044-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5474
  • 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 Y044-5474 available by request