Y031-4879 Screening compound: 1-(2,5-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Y031-4879 Screening compound: 1-(2,5-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Y031-4879 Screening compound: 1-(2,5-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4879
1-(2,5-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-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

Y031-4879

Molecular Formula

C23H27N3O7S (C23 H27 N3 O7 S)

Compound Name

1-(2,5-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(25-dimethoxyphenyl)-N-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc(cc1)cc(N(CC(C2)C(Nc(cc3)ccc3S(N3CCOCC3)(=O)=O)=O)C2=O)c1OC

InChI

InChI=1S/C23H27N3O7S/c1-31-18-5-8-21(32-2)20(14-18)26-15-16(13-22(26)27)23(28)24-17-3-6-19(7-4-17)34(29,30)25-9-11-33-12-10-25/h3-8,14,16H,9-13,15H2,1-2H3,(H,24,28)/t16-/m0/s1

InChI Key

PPJDCOFRAQJNOK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09270369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.59

Polar Surface Area

94.572

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

Y031-4879 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y031-4879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4879?
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What is the minimum amount of Y031-4879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4879
  • 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 Y031-4879 available by request