4031-0960 Screening compound: N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide

4031-0960 Screening compound: N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide
4031-0960 Screening compound: N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0960
N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide

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

4031-0960

Molecular Formula

C14H12BrN3O2 (C14 H12 BrN3 O2)

Compound Name

N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide

IUPAC name

N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]ethanediamide

SMILES

O=C(C(Nc(cc1)ccc1Br)=O)NCc1cnccc1

InChI

InChI=1S/C14H12BrN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)

InChI Key

LBIIMKFRQBDZRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01059401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.791

Distribution Coefficient, logD

0.934

Water Solubility, LogSw

-1.49

Polar Surface Area

57.532

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4031-0960 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4031-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0960?
Check Price and Availability of 4031-0960, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4031-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0960
  • 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 4031-0960 available by request