V007-8360 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

V007-8360 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine
V007-8360 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8360
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

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

V007-8360

Molecular Formula

C29H30N6O3 (C29 H30 N6 O3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-4-[7-(4-cyclohexylphenyl)-[124]triazolo[15-a]pyrimidin-2-yl]piperazine

SMILES

O=C(c(cc1)cc2c1OCO2)N(CC1)CCN1c1nn2c(-c3ccc(C4CCCCC4)cc3)ccnc2n1

InChI

InChI=1S/C29H30N6O3/c36-27(23-10-11-25-26(18-23)38-19-37-25)33-14-16-34(17-15-33)29-31-28-30-13-12-24(35(28)32-29)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h6-13,18,20H,1-5,14-17,19H2

InChI Key

FWXAOJYXXIHEMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953701

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-5.64

Polar Surface Area

66.085

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V007-8360 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-8360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8360?
Check Price and Availability of V007-8360, 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 V007-8360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8360
  • 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 V007-8360 available by request