8018-2949 Screening compound: 1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

8018-2949 Screening compound: 1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
8018-2949 Screening compound: 1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2949
1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-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

8018-2949

Molecular Formula

C7H9ClN2O2 (C7 H9 ClN2 O2)

Compound Name

1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

IUPAC name

1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

SMILES

Cc1nn(CCCl)cc1C(O)=O

InChI

InChI=1S/C7H9ClN2O2/c1-5-6(7(11)12)4-10(9-5)3-2-8/h4H,2-3H2,1H3,(H,11,12)

InChI Key

VKPIDXVFERBENB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06809688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.884

Distribution Coefficient, logD

-2.229

Water Solubility, LogSw

-1.39

Polar Surface Area

43.755

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8018-2949 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2949?
Check Price and Availability of 8018-2949, 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 8018-2949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2949
  • 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 8018-2949 available by request