2652-0839 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide

2652-0839 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
2652-0839 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2652-0839
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-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

2652-0839

Molecular Formula

C20H12Cl2N2O4 (C20 H12 Cl2 N2 O4)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc(ccc(Cl)c2)c2C(c2ccccc2)=O)=O)c1Cl)=O

InChI

InChI=1S/C20H12Cl2N2O4/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)23-20(26)15-11-14(24(27)28)7-8-17(15)22/h1-11H,(H,23,26)

InChI Key

ZYBTYXQXODBUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-5.84

Polar Surface Area

69.480

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2652-0839 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2652-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2652-0839?
Check Price and Availability of 2652-0839, 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 2652-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2652-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2652-0839
  • 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 2652-0839 available by request