V028-4160 Screening compound: N-cyclopropyl-N-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-1-cyclopropanecarboxamide

V028-4160 Screening compound: N-cyclopropyl-N-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-1-cyclopropanecarboxamide
V028-4160 Screening compound: N-cyclopropyl-N-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4160
N-cyclopropyl-N-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-1-cyclopropanecarboxamide

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

V028-4160

Molecular Formula

C17H17FN2O2 (C17 H17 FN2 O2)

Compound Name

N-cyclopropyl-N-{[5-(4-fluorophenyl)-3-isoxazolyl]methyl}-1-cyclopropanecarboxamide

IUPAC name

N-cyclopropyl-N-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methyl}cyclopropanecarboxamide

SMILES

O=C(C1CC1)N(Cc1noc(-c(cc2)ccc2F)c1)C1CC1

InChI

InChI=1S/C17H17FN2O2/c18-13-5-3-11(4-6-13)16-9-14(19-22-16)10-20(15-7-8-15)17(21)12-1-2-12/h3-6,9,12,15H,1-2,7-8,10H2

InChI Key

VQSRICNXVCIQKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816085

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

300.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.70

Polar Surface Area

38.307

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

V028-4160 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-4160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4160?
Check Price and Availability of V028-4160, 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 V028-4160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4160
  • 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 V028-4160 available by request