D361-0929 Screening compound: 4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0929 Screening compound: 4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0929 Screening compound: 4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1-(5-phenyl-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 D361-0929
4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1-(5-phenyl-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

D361-0929

Molecular Formula

C26H22N6O3 (C26 H22 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cc2)cc(OC)c2OCC#C)c2NC1=O)nn2-c1nncc(-c2ccccc2)n1

InChI

InChI=1S/C26H22N6O3/c1-4-12-35-21-11-10-18(13-22(21)34-3)19-14-23(33)29-25-24(19)16(2)31-32(25)26-28-20(15-27-30-26)17-8-6-5-7-9-17/h1,5-11,13,15,19H,12,14H2,2-3H3,(H,29,33)/t19-/m0/s1

InChI Key

QKZVSEMOODMQFO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14824785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

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

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.26

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

19.20

D361-0929 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D361-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0929?
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What is the minimum amount of D361-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0929
  • 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 D361-0929 available by request