D361-0888 Screening compound: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0888 Screening compound: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0888 Screening compound: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0888
1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-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

D361-0888

Molecular Formula

C21H18N6O2S (C21 H18 N6 O2 S)

Compound Name

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

IUPAC name

1-[5-(4-methoxyphenyl)-124-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cccs2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C21H18N6O2S/c1-12-19-15(17-4-3-9-30-17)10-18(28)24-20(19)27(26-12)21-23-16(11-22-25-21)13-5-7-14(29-2)8-6-13/h3-9,11,15H,10H2,1-2H3,(H,24,28)/t15-/m0/s1

InChI Key

KXPLNHUTXDYJMK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14824759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.26

Polar Surface Area

78.937

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D361-0888 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D361-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0888?
Check Price and Availability of D361-0888, 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 D361-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0888
  • 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 D361-0888 available by request