V025-0226 Screening compound: 1-{3-BENZYL-8-CHLORO-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}PYRROLIDINE

V025-0226 Screening compound: 1-{3-BENZYL-8-CHLORO-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}PYRROLIDINE
V025-0226 Screening compound: 1-{3-BENZYL-8-CHLORO-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}PYRROLIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0226
1-{3-BENZYL-8-CHLORO-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}PYRROLIDINE

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

V025-0226

Molecular Formula

C20H18ClN5 (C20 H18 ClN5)

Compound Name

1-{3-BENZYL-8-CHLORO-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}PYRROLIDINE

IUPAC name

n/a

SMILES

Clc(cc1)cc2c1c1nnc(Cc3ccccc3)n1c(N1CCCC1)n2

InChI

InChI=1S/C20H18ClN5/c21-15-8-9-16-17(13-15)22-20(25-10-4-5-11-25)26-18(23-24-19(16)26)12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2

InChI Key

ANZCRWJODAEXMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.99

Polar Surface Area

34.335

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V025-0226 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 V025-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0226?
Check Price and Availability of V025-0226, 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 V025-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0226
  • 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 V025-0226 available by request