D361-0893 Screening compound: methyl 4-{1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoate

D361-0893 Screening compound: methyl 4-{1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
D361-0893 Screening compound: methyl 4-{1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0893
methyl 4-{1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoate

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

D361-0893

Molecular Formula

C25H22N6O4 (C25 H22 N6 O4)

Compound Name

methyl 4-{1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoate

IUPAC name

methyl 4-{1-[5-(4-methoxyphenyl)-124-triazin-3-yl]-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}benzoate

SMILES

Cc(c(C(C1)c(cc2)ccc2C(OC)=O)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C25H22N6O4/c1-14-22-19(15-4-6-17(7-5-15)24(33)35-3)12-21(32)28-23(22)31(30-14)25-27-20(13-26-29-25)16-8-10-18(34-2)11-9-16/h4-11,13,19H,12H2,1-3H3,(H,28,32)/t19-/m0/s1

InChI Key

PTWVJYIMFTUIMX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14824761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.37

Polar Surface Area

99.092

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D361-0893 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D361-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0893?
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What is the minimum amount of D361-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0893
  • 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 D361-0893 available by request