8006-5432 Screening compound: N-[2-bromo-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide

8006-5432 Screening compound: N-[2-bromo-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
8006-5432 Screening compound: N-[2-bromo-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5432
N-[2-bromo-5-(trifluoromethyl)phenyl]-3-methyl-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

8006-5432

Molecular Formula

C15H10BrF3N2O3 (C15 H10 BrF3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(Nc(cc(C(F)(F)F)cc2)c2Br)=O)c1[N+]([O-])=O

InChI

InChI=1S/C15H10BrF3N2O3/c1-8-6-9(2-5-13(8)21(23)24)14(22)20-12-7-10(15(17,18)19)3-4-11(12)16/h2-7H,1H3,(H,20,22)

InChI Key

FXUNBISKPGJJKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.80

Polar Surface Area

55.712

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8006-5432 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8006-5432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5432?
Check Price and Availability of 8006-5432, 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 8006-5432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5432
  • 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 8006-5432 available by request