3261-0936 Screening compound: 2-(2-methylbenzamido)-N,N-bis(prop-2-en-1-yl)benzamide

3261-0936 Screening compound: 2-(2-methylbenzamido)-N,N-bis(prop-2-en-1-yl)benzamide
3261-0936 Screening compound: 2-(2-methylbenzamido)-N,N-bis(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0936
2-(2-methylbenzamido)-N,N-bis(prop-2-en-1-yl)benzamide

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

3261-0936

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

2-(2-methylbenzamido)-N,N-bis(prop-2-en-1-yl)benzamide

IUPAC name

2-(2-methylbenzamido)-NN-bis(prop-2-en-1-yl)benzamide

SMILES

Cc(cccc1)c1C(Nc(cccc1)c1C(N(CC=C)CC=C)=O)=O

InChI

InChI=1S/C21H22N2O2/c1-4-14-23(15-5-2)21(25)18-12-8-9-13-19(18)22-20(24)17-11-7-6-10-16(17)3/h4-13H,1-2,14-15H2,3H3,(H,22,24)

InChI Key

XTHXZTWHKRYFCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.96

Polar Surface Area

39.071

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3261-0936 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3261-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0936?
Check Price and Availability of 3261-0936, 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 3261-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0936
  • 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 3261-0936 available by request