K951-0114 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid

K951-0114 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
K951-0114 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K951-0114
3-(3-methyl-5-oxo-4,5-dihydro-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

K951-0114

Molecular Formula

C7H10N2O3 (C7 H10 N2 O3)

Compound Name

3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid

IUPAC name

3-(3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-yl)propanoic acid

SMILES

CC(C1CCC(O)=O)=NNC1=O

InChI

InChI=1S/C7H10N2O3/c1-4-5(2-3-6(10)11)7(12)9-8-4/h5H,2-3H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1

InChI Key

QXCDEFDXIXQKDJ-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD03030173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

170.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

-0.574

Distribution Coefficient, logD

-3.052

Water Solubility, LogSw

-0.70

Polar Surface Area

64.824

Acid Dissociation Constant (pKa)

4.92

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

K951-0114 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K951-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K951-0114?
Check Price and Availability of K951-0114, 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 K951-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K951-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K951-0114
  • 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 K951-0114 available by request