D361-1095 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1095 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1095 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1095
4-(3-methoxy-4-propoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-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

D361-1095

Molecular Formula

C27H28N6O4 (C27 H28 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(ccc(C(CC(N1)=O)c2c1n(-c1nncc(-c3cc(OC)ccc3)n1)nc2C)c1)c1OC

InChI

InChI=1S/C27H28N6O4/c1-5-11-37-22-10-9-17(13-23(22)36-4)20-14-24(34)30-26-25(20)16(2)32-33(26)27-29-21(15-28-31-27)18-7-6-8-19(12-18)35-3/h6-10,12-13,15,20H,5,11,14H2,1-4H3,(H,30,34)/t20-/m0/s1

InChI Key

AXBDOWNVKOHBKF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14824876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.07

Polar Surface Area

93.053

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

D361-1095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D361-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1095?
Check Price and Availability of D361-1095, 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 D361-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1095
  • 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 D361-1095 available by request