V015-6400 Screening compound: 1-[4-(3-phenyl-6-propylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)-1-ethanone

V015-6400 Screening compound: 1-[4-(3-phenyl-6-propylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)-1-ethanone
V015-6400 Screening compound: 1-[4-(3-phenyl-6-propylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-6400
1-[4-(3-phenyl-6-propylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)-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

V015-6400

Molecular Formula

C24H25N5O2S (C24 H25 N5 O2 S)

Compound Name

1-[4-(3-phenyl-6-propylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)-1-ethanone

IUPAC name

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

SMILES

CCCc1nc(onc2-c3ccccc3)c2c(N(CC2)CCN2C(Cc2cccs2)=O)n1

InChI

InChI=1S/C24H25N5O2S/c1-2-7-19-25-23(21-22(27-31-24(21)26-19)17-8-4-3-5-9-17)29-13-11-28(12-14-29)20(30)16-18-10-6-15-32-18/h3-6,8-10,15H,2,7,11-14,16H2,1H3

InChI Key

SJUCIZXYNMYPSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937358

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.46

Polar Surface Area

62.234

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V015-6400 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V015-6400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6400?
Check Price and Availability of V015-6400, 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 V015-6400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6400
  • 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 V015-6400 available by request