C490-0217 Screening compound: N~10~-(2,4-difluorophenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide

C490-0217 Screening compound: N~10~-(2,4-difluorophenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
C490-0217 Screening compound: N~10~-(2,4-difluorophenyl)-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 C490-0217
N~10~-(2,4-difluorophenyl)-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

C490-0217

Molecular Formula

C22H19F2N3O2 (C22 H19 F2 N3 O2)

Compound Name

N~10~-(2,4-difluorophenyl)-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-(24-difluorophenyl)-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(ccc(F)c1)c1F)=O

InChI

InChI=1S/C22H19F2N3O2/c23-14-5-6-18(17(24)11-14)26-22(28)16-10-13-9-12-3-1-7-27-8-2-4-15(19(12)27)20(13)29-21(16)25/h5-6,9-11,25H,1-4,7-8H2,(H,26,28)

InChI Key

IGOYBRFBSIMVIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

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

3.515

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.87

Polar Surface Area

51.437

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C490-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C490-0217?
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What is the minimum amount of C490-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C490-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C490-0217
  • 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 C490-0217 available by request