8004-4064 Screening compound: N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide

8004-4064 Screening compound: N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide
8004-4064 Screening compound: N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4064
N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide

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

8004-4064

Molecular Formula

C15H13Br2NO (C15 H13 Br2 NO)

Compound Name

N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide

IUPAC name

N-(24-dibromo-6-methylphenyl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(c(C)cc(Br)c1)c1Br)=O

InChI

InChI=1S/C15H13Br2NO/c1-9-3-5-11(6-4-9)15(19)18-14-10(2)7-12(16)8-13(14)17/h3-8H,1-2H3,(H,18,19)

InChI Key

SHLWYPYJZXESPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.08

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.37

Polar Surface Area

21.934

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8004-4064 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 8004-4064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4064?
Check Price and Availability of 8004-4064, 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 8004-4064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4064
  • 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 8004-4064 available by request