5001-0297 Screening compound: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline

5001-0297 Screening compound: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline
5001-0297 Screening compound: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5001-0297
4-(azepan-1-yl)-2-(3-nitrophenyl)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

5001-0297

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline

IUPAC name

4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline

SMILES

[O-][N+](c1cc(-c2nc3ccccc3c(N3CCCCCC3)n2)ccc1)=O

InChI

InChI=1S/C20H20N4O2/c25-24(26)16-9-7-8-15(14-16)19-21-18-11-4-3-10-17(18)20(22-19)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13H2

InChI Key

KBBPPCOGPLZIGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

5.977

Water Solubility, LogSw

-6.39

Polar Surface Area

55.351

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5001-0297 in Drug Discovery

Included in Screening Libraries

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 5001-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5001-0297?
Check Price and Availability of 5001-0297, 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 5001-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5001-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5001-0297
  • 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 5001-0297 available by request