Y031-4852 Screening compound: 1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Y031-4852 Screening compound: 1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Y031-4852 Screening compound: 1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4852
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

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

Y031-4852

Molecular Formula

C19H19FN2O4 (C19 H19 FN2 O4)

Compound Name

1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(25-dimethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

COc(cc1)cc(N(CC(C2)C(Nc(cccc3)c3F)=O)C2=O)c1OC

InChI

InChI=1S/C19H19FN2O4/c1-25-13-7-8-17(26-2)16(10-13)22-11-12(9-18(22)23)19(24)21-15-6-4-3-5-14(15)20/h3-8,10,12H,9,11H2,1-2H3,(H,21,24)/t12-/m0/s1

InChI Key

VWODYDRYTSEHCS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09271313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.487

Water Solubility, LogSw

-3.02

Polar Surface Area

54.255

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y031-4852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4852?
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What is the minimum amount of Y031-4852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4852
  • 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 Y031-4852 available by request