D439-4165 Screening compound: 2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

D439-4165 Screening compound: 2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
D439-4165 Screening compound: 2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-4165
2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

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

D439-4165

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

IUPAC name

2-methoxy-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

SMILES

CC(C)N(C=NC1=NC(COc2c(C)ccc(NC(c(cccc3)c3OC)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C24H25N5O4/c1-15(2)28-14-25-24-27-18(12-22(30)29(24)28)13-33-21-11-17(10-9-16(21)3)26-23(31)19-7-5-6-8-20(19)32-4/h5-12,14-15H,13H2,1-4H3,(H,26,31)

InChI Key

GDSDABWSXQVVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-3.06

Polar Surface Area

80.484

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D439-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4165?
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What is the minimum amount of D439-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4165
  • 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 D439-4165 available by request