C490-0168 Screening compound: 11-[(2-methoxy-5-methylphenyl)imino]-N~10~-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

C490-0168 Screening compound: 11-[(2-methoxy-5-methylphenyl)imino]-N~10~-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
C490-0168 Screening compound: 11-[(2-methoxy-5-methylphenyl)imino]-N~10~-(2-methoxyphenyl)-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 C490-0168
11-[(2-methoxy-5-methylphenyl)imino]-N~10~-(2-methoxyphenyl)-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

C490-0168

Molecular Formula

C31H31N3O4 (C31 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(/N=C2\Oc(c3c(c(CCC4)c5)N4CCC3)c5C=C2C(Nc(cccc2)c2OC)=O)c1OC

InChI

InChI=1S/C31H31N3O4/c1-19-12-13-27(37-3)25(16-19)33-31-23(30(35)32-24-10-4-5-11-26(24)36-2)18-21-17-20-8-6-14-34-15-7-9-22(28(20)34)29(21)38-31/h4-5,10-13,16-18H,6-9,14-15H2,1-3H3,(H,32,35)

InChI Key

RDUGZRAVIBNBRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.385

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.38

Polar Surface Area

56.468

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C490-0168 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C490-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C490-0168?
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What is the minimum amount of C490-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C490-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C490-0168
  • 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 C490-0168 available by request