4031-1251 Screening compound: N'-(4-bromophenyl)-N-(prop-2-en-1-yl)ethanediamide

4031-1251 Screening compound: N'-(4-bromophenyl)-N-(prop-2-en-1-yl)ethanediamide
4031-1251 Screening compound: N'-(4-bromophenyl)-N-(prop-2-en-1-yl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-1251
N'-(4-bromophenyl)-N-(prop-2-en-1-yl)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

4031-1251

Molecular Formula

C11H11BrN2O2 (C11 H11 BrN2 O2)

Compound Name

N'-(4-bromophenyl)-N-(prop-2-en-1-yl)ethanediamide

IUPAC name

N'-(4-bromophenyl)-N-(prop-2-en-1-yl)ethanediamide

SMILES

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

InChI

InChI=1S/C11H11BrN2O2/c1-2-7-13-10(15)11(16)14-9-5-3-8(12)4-6-9/h2-6H,1,7H2,(H,13,15)(H,14,16)

InChI Key

NSTSLJPNBGJIRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-2.29

Polar Surface Area

48.128

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4031-1251 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4031-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-1251?
Check Price and Availability of 4031-1251, 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 4031-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-1251
  • 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 4031-1251 available by request