C803-0080 Screening compound: N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide

C803-0080 Screening compound: N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide
C803-0080 Screening compound: N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0080
N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide

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

C803-0080

Molecular Formula

C20H16F3N3O2 (C20 H16 F3 N3 O2)

Compound Name

N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazolin-2-yl}-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cccc(C(F)(F)F)c1)Nc(cc1)cc2c1N=C(CCCC1)N1C2=O

InChI

InChI=1S/C20H16F3N3O2/c21-20(22,23)13-5-3-4-12(10-13)18(27)24-14-7-8-16-15(11-14)19(28)26-9-2-1-6-17(26)25-16/h3-5,7-8,10-11H,1-2,6,9H2,(H,24,27)

InChI Key

BUZPASAUKDIMCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.72

Polar Surface Area

49.480

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C803-0080 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C803-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0080?
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What is the minimum amount of C803-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0080
  • 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 C803-0080 available by request