8018-8221 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

8018-8221 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
8018-8221 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8221
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

8018-8221

Molecular Formula

C20H16ClN3O3 (C20 H16 ClN3 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(3-chlorophenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1c2cccc(Cl)c2)Nc2c1cnn2Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H16ClN3O3/c21-14-3-1-2-13(7-14)15-8-19(25)23-20-16(15)9-22-24(20)10-12-4-5-17-18(6-12)27-11-26-17/h1-7,9,15H,8,10-11H2,(H,23,25)/t15-/m1/s1

InChI Key

LGXDTSQHUQUAOQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09062601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.72

Polar Surface Area

55.717

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8018-8221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8221?
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What is the minimum amount of 8018-8221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8221
  • 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 8018-8221 available by request