8013-2487 Screening compound: 5-methyl-1-propyl-1H-pyrazole-4-carboxylic acid

8013-2487 Screening compound: 5-methyl-1-propyl-1H-pyrazole-4-carboxylic acid
8013-2487 Screening compound: 5-methyl-1-propyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2487
5-methyl-1-propyl-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

8013-2487

Molecular Formula

C8H12N2O2 (C8 H12 N2 O2)

Compound Name

5-methyl-1-propyl-1H-pyrazole-4-carboxylic acid

IUPAC name

5-methyl-1-propyl-1H-pyrazole-4-carboxylic acid

SMILES

CCCn1ncc(C(O)=O)c1C

InChI

InChI=1S/C8H12N2O2/c1-3-4-10-6(2)7(5-9-10)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)

InChI Key

PIOSFPCYOZWBLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03194465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

168.2

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

1.363

Distribution Coefficient, logD

-1.750

Water Solubility, LogSw

-1.55

Polar Surface Area

42.825

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-2487 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 8013-2487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2487?
Check Price and Availability of 8013-2487, 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 8013-2487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2487
  • 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 8013-2487 available by request