V015-0037 Screening compound: (4-ethylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)methanone

V015-0037 Screening compound: (4-ethylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)methanone
V015-0037 Screening compound: (4-ethylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0037
(4-ethylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)methanone

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

V015-0037

Molecular Formula

C28H28F3N5O2 (C28 H28 F3 N5 O2)

Compound Name

(4-ethylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-d]pyrimidin-4-yl}piperazino)methanone

IUPAC name

n/a

SMILES

CCCc1nc(N(CC2)CCN2C(c2ccc(CC)cc2)=O)c(c(-c2cccc(C(F)(F)F)c2)no2)c2n1

InChI

InChI=1S/C28H28F3N5O2/c1-3-6-22-32-25(35-13-15-36(16-14-35)27(37)19-11-9-18(4-2)10-12-19)23-24(34-38-26(23)33-22)20-7-5-8-21(17-20)28(29,30)31/h5,7-12,17H,3-4,6,13-16H2,1-2H3

InChI Key

FUGFNQSJFVDCLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.598

Distribution Coefficient, logD

6.597

Water Solubility, LogSw

-6.14

Polar Surface Area

61.743

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V015-0037 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0037?
Check Price and Availability of V015-0037, 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 V015-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0037
  • 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 V015-0037 available by request