V025-2914 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one

V025-2914 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one
V025-2914 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2914
1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one

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

V025-2914

Molecular Formula

C31H32N6O (C31 H32 N6 O)

Compound Name

1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one

IUPAC name

1-(4-{3-benzyl-[124]triazolo[43-c]quinazolin-5-yl}-2-methylpiperazin-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N(CC1)C(C)CN1c1nc(cccc2)c2c2nnc(Cc3ccccc3)n12)=O)c1ccccc1

InChI

InChI=1S/C31H32N6O/c1-3-25(24-14-8-5-9-15-24)30(38)36-19-18-35(21-22(36)2)31-32-27-17-11-10-16-26(27)29-34-33-28(37(29)31)20-23-12-6-4-7-13-23/h4-17,22,25H,3,18-21H2,1-2H3

InChI Key

YARXBYNTQXHHFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923501

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.68

Polar Surface Area

49.644

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

V025-2914 in Drug Discovery

Included in Screening Libraries

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 V025-2914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2914?
Check Price and Availability of V025-2914, 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 V025-2914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2914
  • 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 V025-2914 available by request