8018-0783 Screening compound: ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate

8018-0783 Screening compound: ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate
8018-0783 Screening compound: ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0783
ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate

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

8018-0783

Molecular Formula

C14H14FN3O3 (C14 H14 FN3 O3)

Compound Name

ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate

IUPAC name

ethyl 2-[3-(4-fluorobenzamido)-1H-pyrazol-1-yl]acetate

SMILES

CCOC(Cn(cc1)nc1NC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C14H14FN3O3/c1-2-21-13(19)9-18-8-7-12(17-18)16-14(20)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,20)

InChI Key

OHDWNLWDZAEIJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.35

Polar Surface Area

58.716

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-0783 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8018-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0783?
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What is the minimum amount of 8018-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0783
  • 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 8018-0783 available by request