8017-8651 Screening compound: 4-(4-hydroxyphenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

8017-8651 Screening compound: 4-(4-hydroxyphenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
8017-8651 Screening compound: 4-(4-hydroxyphenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8651
4-(4-hydroxyphenyl)-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

8017-8651

Molecular Formula

C18H13NO4 (C18 H13 NO4)

Compound Name

4-(4-hydroxyphenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

IUPAC name

4-(4-hydroxyphenyl)-2H3H4H5H6H-pyrano[32-c]quinoline-25-dione

SMILES

Oc1ccc(C(C2)C(C(Nc3c4cccc3)=O)=C4OC2=O)cc1

InChI

InChI=1S/C18H13NO4/c20-11-7-5-10(6-8-11)13-9-15(21)23-17-12-3-1-2-4-14(12)19-18(22)16(13)17/h1-8,13,20H,9H2,(H,19,22)/t13-/m0/s1

InChI Key

CZDJFFAAHJNJQG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06618845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.994

Water Solubility, LogSw

-2.84

Polar Surface Area

63.353

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8017-8651 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8651?
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What is the minimum amount of 8017-8651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8651
  • 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 8017-8651 available by request