8009-8303 Screening compound: 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

8009-8303 Screening compound: 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
8009-8303 Screening compound: 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8303
4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

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

8009-8303

Molecular Formula

C5H5BrN2O2 (C5 H5 BrN2 O2)

Compound Name

4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

SMILES

Cn1nc(C(O)=O)c(Br)c1

InChI

InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)

InChI Key

LEEPGDCCHVRYHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.088

Distribution Coefficient, logD

-4.055

Water Solubility, LogSw

0.02

Polar Surface Area

44.002

Acid Dissociation Constant (pKa)

3.26

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-8303 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-8303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8303?
Check Price and Availability of 8009-8303, 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 8009-8303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8303
  • 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 8009-8303 available by request