Y042-3953 Screening compound: 1-(4-bromophenyl)-5-oxo-N-(4-pyridylmethyl)-3-pyrrolidinecarboxamide

Y042-3953 Screening compound: 1-(4-bromophenyl)-5-oxo-N-(4-pyridylmethyl)-3-pyrrolidinecarboxamide
Y042-3953 Screening compound: 1-(4-bromophenyl)-5-oxo-N-(4-pyridylmethyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3953
1-(4-bromophenyl)-5-oxo-N-(4-pyridylmethyl)-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

Y042-3953

Molecular Formula

C17H16BrN3O2 (C17 H16 BrN3 O2)

Compound Name

1-(4-bromophenyl)-5-oxo-N-(4-pyridylmethyl)-3-pyrrolidinecarboxamide

IUPAC name

1-(4-bromophenyl)-5-oxo-N-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1Br)NCc1ccncc1

InChI

InChI=1S/C17H16BrN3O2/c18-14-1-3-15(4-2-14)21-11-13(9-16(21)22)17(23)20-10-12-5-7-19-8-6-12/h1-8,13H,9-11H2,(H,20,23)/t13-/m1/s1

InChI Key

IWSSQQFCVMLQCS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD13759788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.425

Distribution Coefficient, logD

1.421

Water Solubility, LogSw

-1.41

Polar Surface Area

50.830

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

Y042-3953 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-3953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3953?
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What is the minimum amount of Y042-3953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3953
  • 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 Y042-3953 available by request