2072-0838 Screening compound: 2-bromo-N-[4-(3-methylbenzamido)phenyl]-5-nitrobenzamide

2072-0838 Screening compound: 2-bromo-N-[4-(3-methylbenzamido)phenyl]-5-nitrobenzamide
2072-0838 Screening compound: 2-bromo-N-[4-(3-methylbenzamido)phenyl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0838
2-bromo-N-[4-(3-methylbenzamido)phenyl]-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

2072-0838

Molecular Formula

C21H16BrN3O4 (C21 H16 BrN3 O4)

Compound Name

2-bromo-N-[4-(3-methylbenzamido)phenyl]-5-nitrobenzamide

IUPAC name

2-bromo-N-[4-(3-methylbenzamido)phenyl]-5-nitrobenzamide

SMILES

Cc1cccc(C(Nc(cc2)ccc2NC(c(cc(cc2)[N+]([O-])=O)c2Br)=O)=O)c1

InChI

InChI=1S/C21H16BrN3O4/c1-13-3-2-4-14(11-13)20(26)23-15-5-7-16(8-6-15)24-21(27)18-12-17(25(28)29)9-10-19(18)22/h2-12H,1H3,(H,23,26)(H,24,27)

InChI Key

SXJJMBJSLINXBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.28

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

4.647

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.49

Polar Surface Area

79.802

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2072-0838 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2072-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0838?
Check Price and Availability of 2072-0838, 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 2072-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0838
  • 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 2072-0838 available by request