D645-0022 Screening compound: 1-NAPHTHYL (1-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2-YLETHYL) ETHER

D645-0022 Screening compound: 1-NAPHTHYL (1-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2-YLETHYL) ETHER
D645-0022 Screening compound: 1-NAPHTHYL (1-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2-YLETHYL) ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound D645-0022
1-NAPHTHYL (1-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2-YLETHYL) ETHER

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

D645-0022

Molecular Formula

C21H16N4O (C21 H16 N4 O)

Compound Name

1-NAPHTHYL (1-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2-YLETHYL) ETHER

IUPAC name

2-[1-(naphthalen-1-yloxy)ethyl]-[124]triazolo[15-c]quinazoline

SMILES

CC(c1nn(cnc2c3cccc2)c3n1)Oc1cccc2ccccc12

InChI

InChI=1S/C21H16N4O/c1-14(26-19-12-6-8-15-7-2-3-9-16(15)19)20-23-21-17-10-4-5-11-18(17)22-13-25(21)24-20/h2-14H,1H3/t14-/m0/s1

InChI Key

VTGVDELXKDPIMF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD12965672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-5.25

Polar Surface Area

36.334

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.52

D645-0022 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D645-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D645-0022?
Check Price and Availability of D645-0022, 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 D645-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D645-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D645-0022
  • 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 D645-0022 available by request