C490-0226 Screening compound: N-biphenyl-4-yl-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

C490-0226 Screening compound: N-biphenyl-4-yl-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
C490-0226 Screening compound: N-biphenyl-4-yl-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 C490-0226
N-biphenyl-4-yl-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

C490-0226

Molecular Formula

C28H25N3O2 (C28 H25 N3 O2)

Compound Name

N-biphenyl-4-yl-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-{[11'-biphenyl]-4-yl}-4-imino-3-oxa-13-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1579(17)-tetraene-5-carboxamide

SMILES

N=C1Oc(c2c(c(CCC3)c4)N3CCC2)c4C=C1C(Nc(cc1)ccc1-c1ccccc1)=O

InChI

InChI=1S/C28H25N3O2/c29-27-24(28(32)30-22-12-10-19(11-13-22)18-6-2-1-3-7-18)17-21-16-20-8-4-14-31-15-5-9-23(25(20)31)26(21)33-27/h1-3,6-7,10-13,16-17,29H,4-5,8-9,14-15H2,(H,30,32)

InChI Key

QWXPXLRFUNBTMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-5.55

Polar Surface Area

51.863

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C490-0226 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C490-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C490-0226?
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What is the minimum amount of C490-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C490-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C490-0226
  • 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 C490-0226 available by request