0199-0092 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide

0199-0092 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide
0199-0092 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0092
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide

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

0199-0092

Molecular Formula

C16H12BrCl2NO2 (C16 H12 BrCl2 NO2)

Compound Name

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide

IUPAC name

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chloropropanamide

SMILES

O=C(CCCl)Nc(ccc(Br)c1)c1C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C16H12BrCl2NO2/c17-10-5-6-14(20-15(21)7-8-18)12(9-10)16(22)11-3-1-2-4-13(11)19/h1-6,9H,7-8H2,(H,20,21)

InChI Key

OJPVDUQWHBOWBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.09

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.89

Polar Surface Area

36.157

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0199-0092 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0199-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0092?
Check Price and Availability of 0199-0092, 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 0199-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0092
  • 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 0199-0092 available by request