8017-8652 Screening compound: 4-{4-[(3-chlorobenzyl)oxy]phenyl}-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

8017-8652 Screening compound: 4-{4-[(3-chlorobenzyl)oxy]phenyl}-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
8017-8652 Screening compound: 4-{4-[(3-chlorobenzyl)oxy]phenyl}-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8652
4-{4-[(3-chlorobenzyl)oxy]phenyl}-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

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

8017-8652

Molecular Formula

C25H18ClNO4 (C25 H18 ClNO4)

Compound Name

4-{4-[(3-chlorobenzyl)oxy]phenyl}-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

IUPAC name

4-{4-[(3-chlorophenyl)methoxy]phenyl}-2H3H4H5H6H-pyrano[32-c]quinoline-25-dione

SMILES

O=C(CC1c(cc2)ccc2OCc2cccc(Cl)c2)OC(c(cccc2)c2N2)=C1C2=O

InChI

InChI=1S/C25H18ClNO4/c26-17-5-3-4-15(12-17)14-30-18-10-8-16(9-11-18)20-13-22(28)31-24-19-6-1-2-7-21(19)27-25(29)23(20)24/h1-12,20H,13-14H2,(H,27,29)/t20-/m0/s1

InChI Key

XIPLAVHZSIVKNG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06618846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-5.10

Polar Surface Area

52.964

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8017-8652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8652?
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What is the minimum amount of 8017-8652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8652
  • 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 8017-8652 available by request