V015-1802 Screening compound: [4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazino](2-quinoxalinyl)methanone

V015-1802 Screening compound: [4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazino](2-quinoxalinyl)methanone
V015-1802 Screening compound: [4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazino](2-quinoxalinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1802
[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazino](2-quinoxalinyl)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

V015-1802

Molecular Formula

C29H30N8O (C29 H30 N8 O)

Compound Name

[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazino](2-quinoxalinyl)methanone

IUPAC name

2-(4-{3-cyclohexyl-9-methyl-[124]triazolo[43-c]quinazolin-5-yl}piperazine-1-carbonyl)quinoxaline

SMILES

Cc(cc1)cc(c2nnc(C3CCCCC3)n22)c1nc2N(CC1)CCN1C(c1nc2ccccc2nc1)=O

InChI

InChI=1S/C29H30N8O/c1-19-11-12-22-21(17-19)27-34-33-26(20-7-3-2-4-8-20)37(27)29(32-22)36-15-13-35(14-16-36)28(38)25-18-30-23-9-5-6-10-24(23)31-25/h5-6,9-12,17-18,20H,2-4,7-8,13-16H2,1H3

InChI Key

UBVVVZFTMCFHRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923435

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.375

Distribution Coefficient, logD

5.375

Water Solubility, LogSw

-5.21

Polar Surface Area

67.096

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

V015-1802 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V015-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1802?
Check Price and Availability of V015-1802, 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 V015-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1802
  • 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 V015-1802 available by request