4300-0049 Screening compound: 4-(azepan-1-yl)-2-phenylquinazoline

4300-0049 Screening compound: 4-(azepan-1-yl)-2-phenylquinazoline
4300-0049 Screening compound: 4-(azepan-1-yl)-2-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0049
4-(azepan-1-yl)-2-phenylquinazoline

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

4300-0049

Molecular Formula

C20H21N3 (C20 H21 N3)

Compound Name

4-(azepan-1-yl)-2-phenylquinazoline

IUPAC name

4-(azepan-1-yl)-2-phenylquinazoline

SMILES

C(CCC1)CCN1c1nc(-c2ccccc2)nc2ccccc12

InChI

InChI=1S/C20H21N3/c1-2-9-15-23(14-8-1)20-17-12-6-7-13-18(17)21-19(22-20)16-10-4-3-5-11-16/h3-7,10-13H,1-2,8-9,14-15H2

InChI Key

RPJXVLKNMUPSIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471600

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

303.41

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

6.023

Distribution Coefficient, logD

5.439

Water Solubility, LogSw

-6.37

Polar Surface Area

21.969

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4300-0049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4300-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0049?
Check Price and Availability of 4300-0049, 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 4300-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0049
  • 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 4300-0049 available by request