C490-0040 Screening compound: 11-{[3-(aminocarbonyl)phenyl]imino}-N~10~-(4-chlorophenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

C490-0040 Screening compound: 11-{[3-(aminocarbonyl)phenyl]imino}-N~10~-(4-chlorophenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
C490-0040 Screening compound: 11-{[3-(aminocarbonyl)phenyl]imino}-N~10~-(4-chlorophenyl)-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 C490-0040
11-{[3-(aminocarbonyl)phenyl]imino}-N~10~-(4-chlorophenyl)-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

C490-0040

Molecular Formula

C29H25ClN4O3 (C29 H25 ClN4 O3)

Compound Name

11-{[3-(aminocarbonyl)phenyl]imino}-N~10~-(4-chlorophenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

IUPAC name

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

SMILES

NC(c1cccc(/N=C2\Oc(c3c(c(CCC4)c5)N4CCC3)c5C=C2C(Nc(cc2)ccc2Cl)=O)c1)=O

InChI

InChI=1S/C29H25ClN4O3/c30-20-8-10-21(11-9-20)32-28(36)24-16-19-14-17-5-2-12-34-13-3-7-23(25(17)34)26(19)37-29(24)33-22-6-1-4-18(15-22)27(31)35/h1,4,6,8-11,14-16H,2-3,5,7,12-13H2,(H2,31,35)(H,32,36)

InChI Key

DJUXGXSCSYJDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-4.87

Polar Surface Area

76.662

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C490-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C490-0040?
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What is the minimum amount of C490-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C490-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C490-0040
  • 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 C490-0040 available by request