K696-0410 Screening compound: 4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline

K696-0410 Screening compound: 4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline
K696-0410 Screening compound: 4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0410
4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline

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

K696-0410

Molecular Formula

C21H23N3 (C21 H23 N3)

Compound Name

4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline

IUPAC name

4-(azepan-1-yl)-2-(4-methylphenyl)quinazoline

SMILES

Cc(cc1)ccc1-c1nc2ccccc2c(N2CCCCCC2)n1

InChI

InChI=1S/C21H23N3/c1-16-10-12-17(13-11-16)20-22-19-9-5-4-8-18(19)21(23-20)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3

InChI Key

FIZGRDILLNFCQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.551

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-6.07

Polar Surface Area

21.969

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K696-0410 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with K696-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0410?
Check Price and Availability of K696-0410, 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 K696-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0410
  • 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 K696-0410 available by request