V028-8458 Screening compound: N~3~-[2-(2-fluoroanilino)-2-oxoethyl]-N~3~-methyl-5-(4-methylphenyl)-3-isoxazolecarboxamide

V028-8458 Screening compound: N~3~-[2-(2-fluoroanilino)-2-oxoethyl]-N~3~-methyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
V028-8458 Screening compound: N~3~-[2-(2-fluoroanilino)-2-oxoethyl]-N~3~-methyl-5-(4-methylphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8458
N~3~-[2-(2-fluoroanilino)-2-oxoethyl]-N~3~-methyl-5-(4-methylphenyl)-3-isoxazolecarboxamide

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

V028-8458

Molecular Formula

C20H18FN3O3 (C20 H18 FN3 O3)

Compound Name

N~3~-[2-(2-fluoroanilino)-2-oxoethyl]-N~3~-methyl-5-(4-methylphenyl)-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1cc(C(N(C)CC(Nc(cccc2)c2F)=O)=O)no1

InChI

InChI=1S/C20H18FN3O3/c1-13-7-9-14(10-8-13)18-11-17(23-27-18)20(26)24(2)12-19(25)22-16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,22,25)

InChI Key

WOWADOVPELIWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20035145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

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

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.74

Polar Surface Area

60.376

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with V028-8458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8458?
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What is the minimum amount of V028-8458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8458
  • 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 V028-8458 available by request