C803-0097 Screening compound: (2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

C803-0097 Screening compound: (2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide
C803-0097 Screening compound: (2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0097
(2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

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

C803-0097

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

(2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(4-methoxyphenyl)-N-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazolin-2-yl}prop-2-enamide

SMILES

COc1ccc(/C=C/C(Nc(cc2)cc3c2N=C(CCCC2)N2C3=O)=O)cc1

InChI

InChI=1S/C22H21N3O3/c1-28-17-9-5-15(6-10-17)7-12-21(26)23-16-8-11-19-18(14-16)22(27)25-13-3-2-4-20(25)24-19/h5-12,14H,2-4,13H2,1H3,(H,23,26)

InChI Key

SJSUIEJFRUPQPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-3.56

Polar Surface Area

56.810

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C803-0097 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C803-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0097?
Check Price and Availability of C803-0097, 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 C803-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0097
  • 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 C803-0097 available by request