J081-0930 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0930 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0930 Screening compound: 3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0930
3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2,4,5-trimethoxyphenyl)-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

J081-0930

Molecular Formula

C22H23N7O4 (C22 H23 N7 O4)

Compound Name

3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

3-methyl-1-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}-4-(245-trimethoxyphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc(c(OC)c2)OC)c2OC)c2NC1=O)nn2-c(cc1)nn2c1nnc2C

InChI

InChI=1S/C22H23N7O4/c1-11-21-14(13-8-16(32-4)17(33-5)10-15(13)31-3)9-20(30)23-22(21)29(26-11)19-7-6-18-25-24-12(2)28(18)27-19/h6-8,10,14H,9H2,1-5H3,(H,23,30)/t14-/m0/s1

InChI Key

WCWAXUJSCSHFPO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15080092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

0.902

Water Solubility, LogSw

-2.04

Polar Surface Area

94.653

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with J081-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0930?
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What is the minimum amount of J081-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0930
  • 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 J081-0930 available by request