J081-1246 Screening compound: 4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1246 Screening compound: 4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1246 Screening compound: 4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1246
4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-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

J081-1246

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(4-methoxy-3-propoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-124-triazin-3-yl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCCOc(cc(C(CC(N1)=O)c2c1n(-c1nncc(-c3ccc(C)cc3)n1)nc2C)cc1)c1OC

InChI

InChI=1S/C27H28N6O3/c1-5-12-36-23-13-19(10-11-22(23)35-4)20-14-24(34)30-26-25(20)17(3)32-33(26)27-29-21(15-28-31-27)18-8-6-16(2)7-9-18/h6-11,13,15,20H,5,12,14H2,1-4H3,(H,30,34)/t20-/m0/s1

InChI Key

WKZDBPBIEJGWFG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15080123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.21

Polar Surface Area

85.510

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

J081-1246 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J081-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1246?
Check Price and Availability of J081-1246, 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 J081-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1246
  • 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 J081-1246 available by request