3261-0037 Screening compound: 2-benzamido-N-(2,4-dimethylphenyl)-4-nitrobenzamide

3261-0037 Screening compound: 2-benzamido-N-(2,4-dimethylphenyl)-4-nitrobenzamide
3261-0037 Screening compound: 2-benzamido-N-(2,4-dimethylphenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0037
2-benzamido-N-(2,4-dimethylphenyl)-4-nitrobenzamide

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

3261-0037

Molecular Formula

C22H19N3O4 (C22 H19 N3 O4)

Compound Name

2-benzamido-N-(2,4-dimethylphenyl)-4-nitrobenzamide

IUPAC name

2-benzamido-N-(24-dimethylphenyl)-4-nitrobenzamide

SMILES

Cc(cc1)cc(C)c1NC(c(ccc([N+]([O-])=O)c1)c1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H19N3O4/c1-14-8-11-19(15(2)12-14)23-22(27)18-10-9-17(25(28)29)13-20(18)24-21(26)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,27)(H,24,26)

InChI Key

POGYNMCMCOCISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-4.31

Polar Surface Area

78.407

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3261-0037 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3261-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0037?
Check Price and Availability of 3261-0037, 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 3261-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0037
  • 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 3261-0037 available by request