6882-0481 Screening compound: 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

6882-0481 Screening compound: 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
6882-0481 Screening compound: 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0481
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

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

6882-0481

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2H4H5H6H7H8H9H-pyrazolo[34-b]quinolin-5-one

SMILES

COc(cc(C(c1c2O)C(C(CCC3)=O)=C3Nc1nn2-c1ccccc1)cc1)c1O

InChI

InChI=1S/C23H21N3O4/c1-30-18-12-13(10-11-16(18)27)19-20-15(8-5-9-17(20)28)24-22-21(19)23(29)26(25-22)14-6-3-2-4-7-14/h2-4,6-7,10-12,19,27,29H,5,8-9H2,1H3,(H,24,25)/t19-/m0/s1

InChI Key

NWVUVOGEDPCEBQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04182104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-3.14

Polar Surface Area

78.297

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

6882-0481 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 6882-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0481?
Check Price and Availability of 6882-0481, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6882-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0481
  • 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 6882-0481 available by request