D361-0766 Screening compound: 3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0766 Screening compound: 3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0766 Screening compound: 3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0766
3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-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

D361-0766

Molecular Formula

C26H24N6O2 (C26 H24 N6 O2)

Compound Name

3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

3-methyl-1-[5-(4-methylphenyl)-124-triazin-3-yl]-4-[4-(prop-2-en-1-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)ccc2OCC=C)c2NC1=O)nn2-c1nncc(-c2ccc(C)cc2)n1

InChI

InChI=1S/C26H24N6O2/c1-4-13-34-20-11-9-18(10-12-20)21-14-23(33)29-25-24(21)17(3)31-32(25)26-28-22(15-27-30-26)19-7-5-16(2)6-8-19/h4-12,15,21H,1,13-14H2,2-3H3,(H,29,33)/t21-/m0/s1

InChI Key

CYLPSYPIFIWPHB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14824685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.301

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.11

Polar Surface Area

77.793

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D361-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0766?
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What is the minimum amount of D361-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0766
  • 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 D361-0766 available by request