C590-0647 Screening compound: N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide

C590-0647 Screening compound: N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
C590-0647 Screening compound: N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0647
N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide

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

C590-0647

Molecular Formula

C12H12BrN3O (C12 H12 BrN3 O)

Compound Name

N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-3-methyl-1H-pyrazole-5-carboxamide

SMILES

Cc1n[nH]c(C(Nc(cc2)cc(C)c2Br)=O)c1

InChI

InChI=1S/C12H12BrN3O/c1-7-5-9(3-4-10(7)13)14-12(17)11-6-8(2)15-16-11/h3-6H,1-2H3,(H,14,17)(H,15,16)

InChI Key

YFUIEOCREDYCFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.12

Polar Surface Area

45.897

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C590-0647 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C590-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0647?
Check Price and Availability of C590-0647, 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 C590-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0647
  • 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 C590-0647 available by request