D361-1104 Screening compound: 2-(4-{1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

D361-1104 Screening compound: 2-(4-{1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
D361-1104 Screening compound: 2-(4-{1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1104
2-(4-{1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

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

D361-1104

Molecular Formula

C25H23N7O4 (C25 H23 N7 O4)

Compound Name

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

IUPAC name

2-(4-{1-[5-(3-methoxyphenyl)-124-triazin-3-yl]-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}phenoxy)acetamide

SMILES

Cc(c(C(C1)c(cc2)ccc2OCC(N)=O)c2NC1=O)nn2-c1nncc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C25H23N7O4/c1-14-23-19(15-6-8-17(9-7-15)36-13-21(26)33)11-22(34)29-24(23)32(31-14)25-28-20(12-27-30-25)16-4-3-5-18(10-16)35-2/h3-10,12,19H,11,13H2,1-2H3,(H2,26,33)(H,29,34)/t19-/m0/s1

InChI Key

SJRNSAYAKJOWMU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14824885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.31

Polar Surface Area

118.806

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D361-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1104?
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What is the minimum amount of D361-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1104
  • 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 D361-1104 available by request