V015-6329 Screening compound: 2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)-1-ethanone

V015-6329 Screening compound: 2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)-1-ethanone
V015-6329 Screening compound: 2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-6329
2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)-1-ethanone

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

V015-6329

Molecular Formula

C28H28F3N5O3 (C28 H28 F3 N5 O3)

Compound Name

2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)-1-ethanone

IUPAC name

2-(benzyloxy)-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

SMILES

CCCc1nc(N(CC2)CCN2C(COCc2ccccc2)=O)c(c(-c2cccc(C(F)(F)F)c2)no2)c2n1

InChI

InChI=1S/C28H28F3N5O3/c1-2-7-22-32-26(24-25(34-39-27(24)33-22)20-10-6-11-21(16-20)28(29,30)31)36-14-12-35(13-15-36)23(37)18-38-17-19-8-4-3-5-9-19/h3-6,8-11,16H,2,7,12-15,17-18H2,1H3

InChI Key

QZNHVZROUZQHRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937464

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.84

Polar Surface Area

69.649

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

V015-6329 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-6329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6329?
Check Price and Availability of V015-6329, 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 V015-6329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6329
  • 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 V015-6329 available by request