C490-0219 Screening compound: N~10~-(5-chloro-2-methylphenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

C490-0219 Screening compound: N~10~-(5-chloro-2-methylphenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
C490-0219 Screening compound: N~10~-(5-chloro-2-methylphenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C490-0219
N~10~-(5-chloro-2-methylphenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

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

C490-0219

Molecular Formula

C23H22ClN3O2 (C23 H22 ClN3 O2)

Compound Name

N~10~-(5-chloro-2-methylphenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1579(17)-tetraene-5-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(C1=Cc(cc2c3c4CCCN3CCC2)c4OC1=N)=O

InChI

InChI=1S/C23H22ClN3O2/c1-13-6-7-16(24)12-19(13)26-23(28)18-11-15-10-14-4-2-8-27-9-3-5-17(20(14)27)21(15)29-22(18)25/h6-7,10-12,25H,2-5,8-9H2,1H3,(H,26,28)

InChI Key

KUMPUTDSMXPDTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.47

Polar Surface Area

51.437

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C490-0219 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C490-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C490-0219?
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What is the minimum amount of C490-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C490-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C490-0219
  • 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 C490-0219 available by request