8019-0594 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

8019-0594 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
8019-0594 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0594
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-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

8019-0594

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(CC(N1)=O)c2c1n(Cc(cc1)cc3c1OCO3)nc2)c1)c1OC

InChI

InChI=1S/C22H21N3O5/c1-27-17-6-4-14(8-19(17)28-2)15-9-21(26)24-22-16(15)10-23-25(22)11-13-3-5-18-20(7-13)30-12-29-18/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,26)/t15-/m0/s1

InChI Key

JRYDJSZGIMKNPT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09063982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-3.04

Polar Surface Area

70.978

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8019-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0594?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0594
  • 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 8019-0594 available by request