4478-5402 Screening compound: 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

4478-5402 Screening compound: 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
4478-5402 Screening compound: 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5402
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

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

4478-5402

Molecular Formula

C13H12BrN3O3 (C13 H12 BrN3 O3)

Compound Name

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

IUPAC name

3-bromo-N-(26-dimethoxypyrimidin-4-yl)benzamide

SMILES

COc1cc(NC(c2cccc(Br)c2)=O)nc(OC)n1

InChI

InChI=1S/C13H12BrN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16,17,18)

InChI Key

FOFWQMUXAVEPQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01815795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-3.83

Polar Surface Area

57.257

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4478-5402 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4478-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5402?
Check Price and Availability of 4478-5402, 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 4478-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5402
  • 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 4478-5402 available by request