K951-0113 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid

K951-0113 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
K951-0113 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K951-0113
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic 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

K951-0113

Molecular Formula

C8H12N2O2 (C8 H12 N2 O2)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid

IUPAC name

3-(35-dimethyl-1H-pyrazol-4-yl)propanoic acid

SMILES

Cc1c(CCC(O)=O)c(C)n[nH]1

InChI

InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)

InChI Key

NKTYLFMWIMKAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

168.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.731

Distribution Coefficient, logD

-2.096

Water Solubility, LogSw

-0.65

Polar Surface Area

52.537

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K951-0113 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K951-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K951-0113?
Check Price and Availability of K951-0113, 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 K951-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K951-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K951-0113
  • 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 K951-0113 available by request