8019-9663 Screening compound: (2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic acid

8019-9663 Screening compound: (2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic acid
8019-9663 Screening compound: (2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9663
(2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic 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

8019-9663

Molecular Formula

C14H12FN3O3 (C14 H12 FN3 O3)

Compound Name

(2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic acid

IUPAC name

(2E)-3-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}prop-2-enoic acid

SMILES

Cc1n[nH]c(NC(/C=C/C(O)=O)=O)c1-c(cc1)ccc1F

InChI

InChI=1S/C14H12FN3O3/c1-8-13(9-2-4-10(15)5-3-9)14(18-17-8)16-11(19)6-7-12(20)21/h2-7H,1H3,(H,20,21)(H2,16,17,18,19)

InChI Key

JIHSWQXCGXRSLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.834

Distribution Coefficient, logD

-2.624

Water Solubility, LogSw

-2.22

Polar Surface Area

75.478

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8019-9663 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Proteases
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-9663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9663?
Check Price and Availability of 8019-9663, 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 8019-9663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9663
  • 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 8019-9663 available by request