V010-6794 Screening compound: ethyl 1-(2-fluorophenyl)-5-[3-(1,2-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate

V010-6794 Screening compound: ethyl 1-(2-fluorophenyl)-5-[3-(1,2-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate
V010-6794 Screening compound: ethyl 1-(2-fluorophenyl)-5-[3-(1,2-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6794
ethyl 1-(2-fluorophenyl)-5-[3-(1,2-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate

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

V010-6794

Molecular Formula

C22H17FN4O4 (C22 H17 FN4 O4)

Compound Name

ethyl 1-(2-fluorophenyl)-5-[3-(1,2-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(2-fluorophenyl)-5-[3-(12-oxazole-5-amido)phenyl]-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2cc(NC(c3ccno3)=O)ccc2)nn1-c(cccc1)c1F)=O

InChI

InChI=1S/C22H17FN4O4/c1-2-30-22(29)17-13-19(27(26-17)18-9-4-3-8-16(18)23)14-6-5-7-15(12-14)25-21(28)20-10-11-24-31-20/h3-13H,2H2,1H3,(H,25,28)

InChI Key

QZSHZQPGNIXOON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-3.98

Polar Surface Area

78.746

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V010-6794 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V010-6794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6794?
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What is the minimum amount of V010-6794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6794
  • 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 V010-6794 available by request