D361-1036 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1036 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1036 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1036
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2-fluorophenyl)-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

D361-1036

Molecular Formula

C22H16ClFN6O (C22 H16 ClFN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cccc2)c2F)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C22H16ClFN6O/c1-12-20-16(15-4-2-3-5-17(15)24)10-19(31)27-21(20)30(29-12)22-26-18(11-25-28-22)13-6-8-14(23)9-7-13/h2-9,11,16H,10H2,1H3,(H,27,31)/t16-/m0/s1

InChI Key

TXNORAGMPGZDSI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14824846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.111

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.52

Polar Surface Area

70.375

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D361-1036 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D361-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1036?
Check Price and Availability of D361-1036, 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 D361-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1036
  • 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 D361-1036 available by request