Y031-3904 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-3904 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-3904 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3904
N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-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

Y031-3904

Molecular Formula

C21H23ClN2O6 (C21 H23 ClN2 O6)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-1-(24-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

COc(cc1)cc(OC)c1N(CC(C1)C(Nc(c(OC)c2)cc(OC)c2Cl)=O)C1=O

InChI

InChI=1S/C21H23ClN2O6/c1-27-13-5-6-16(19(8-13)30-4)24-11-12(7-20(24)25)21(26)23-15-10-17(28-2)14(22)9-18(15)29-3/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,26)/t12-/m0/s1

InChI Key

WOFSIGFHLLUQRH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09269097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-3.50

Polar Surface Area

69.516

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y031-3904 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-3904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3904?
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What is the minimum amount of Y031-3904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3904
  • 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 Y031-3904 available by request