V030-9735 Screening compound: benzyl 4-{5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carboxylate

V030-9735 Screening compound: benzyl 4-{5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carboxylate
V030-9735 Screening compound: benzyl 4-{5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9735
benzyl 4-{5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carboxylate

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

V030-9735

Molecular Formula

C23H22N6O2 (C23 H22 N6 O2)

Compound Name

benzyl 4-{5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carboxylate

IUPAC name

benzyl 4-{5-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}piperazine-1-carboxylate

SMILES

O=C(N(CC1)CCN1c1cc(-c2ccccc2)nc2ncnn12)OCc1ccccc1

InChI

InChI=1S/C23H22N6O2/c30-23(31-16-18-7-3-1-4-8-18)28-13-11-27(12-14-28)21-15-20(19-9-5-2-6-10-19)26-22-24-17-25-29(21)22/h1-10,15,17H,11-14,16H2

InChI Key

LHKPZQCRTJSJBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959665

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.60

Polar Surface Area

57.136

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V030-9735 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with V030-9735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9735?
Check Price and Availability of V030-9735, 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 V030-9735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9735
  • 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 V030-9735 available by request