Y031-4072 Screening compound: N-(3-bromophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

Y031-4072 Screening compound: N-(3-bromophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
Y031-4072 Screening compound: N-(3-bromophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4072
N-(3-bromophenyl)-1-cyclopentyl-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

Y031-4072

Molecular Formula

C16H19BrN2O2 (C16 H19 BrN2 O2)

Compound Name

N-(3-bromophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(3-bromophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(C2CCCC2)C1=O)Nc1cccc(Br)c1

InChI

InChI=1S/C16H19BrN2O2/c17-12-4-3-5-13(9-12)18-16(21)11-8-15(20)19(10-11)14-6-1-2-7-14/h3-5,9,11,14H,1-2,6-8,10H2,(H,18,21)/t11-/m0/s1

InChI Key

NCIARIUKYDIASW-NSHDSACASA-N

MDL Number (MFCD)

MFCD07400989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-3.14

Polar Surface Area

40.279

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y031-4072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4072?
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What is the minimum amount of Y031-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4072
  • 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 Y031-4072 available by request