4229-0107 Screening compound: 4-(azepan-1-yl)-2-(4-propoxyphenyl)quinazoline

4229-0107 Screening compound: 4-(azepan-1-yl)-2-(4-propoxyphenyl)quinazoline
4229-0107 Screening compound: 4-(azepan-1-yl)-2-(4-propoxyphenyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4229-0107
4-(azepan-1-yl)-2-(4-propoxyphenyl)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

4229-0107

Molecular Formula

C23H27N3O (C23 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1-c1nc2ccccc2c(N2CCCCCC2)n1

InChI

InChI=1S/C23H27N3O/c1-2-17-27-19-13-11-18(12-14-19)22-24-21-10-6-5-9-20(21)23(25-22)26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3

InChI Key

LAXUELNIJXBGHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.087

Distribution Coefficient, logD

6.646

Water Solubility, LogSw

-6.12

Polar Surface Area

29.387

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

4229-0107 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4229-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4229-0107?
Check Price and Availability of 4229-0107, 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 4229-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4229-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4229-0107
  • 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 4229-0107 available by request