8017-6090 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione

8017-6090 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
8017-6090 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6090
4-(4-hydroxy-3-methoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]quinoline-2,5-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

8017-6090

Molecular Formula

C19H15NO5 (C19 H15 NO5)

Compound Name

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

IUPAC name

4-(4-hydroxy-3-methoxyphenyl)-2H3H4H5H6H-pyrano[32-c]quinoline-25-dione

SMILES

COc(cc(C(C1)C(C(Nc2c3cccc2)=O)=C3OC1=O)cc1)c1O

InChI

InChI=1S/C19H15NO5/c1-24-15-8-10(6-7-14(15)21)12-9-16(22)25-18-11-4-2-3-5-13(11)20-19(23)17(12)18/h2-8,12,21H,9H2,1H3,(H,20,23)/t12-/m0/s1

InChI Key

IEUVYFKZTNCHJG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06616868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.90

Polar Surface Area

69.914

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8017-6090 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 8017-6090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6090?
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What is the minimum amount of 8017-6090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6090
  • 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 8017-6090 available by request