D439-4137 Screening compound: N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-phenoxyacetamide

D439-4137 Screening compound: N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-phenoxyacetamide
D439-4137 Screening compound: N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-4137
N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-phenoxyacetamide

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

D439-4137

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C=NC1=NC(COc2c(C)ccc(NC(COc3ccccc3)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C24H25N5O4/c1-16(2)28-15-25-24-27-19(12-23(31)29(24)28)13-33-21-11-18(10-9-17(21)3)26-22(30)14-32-20-7-5-4-6-8-20/h4-12,15-16H,13-14H2,1-3H3,(H,26,30)

InChI Key

MXYXGNJWXPJHAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828950

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

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-3.11

Polar Surface Area

80.140

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D439-4137 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D439-4137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4137?
Check Price and Availability of D439-4137, 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 D439-4137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4137
  • 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 D439-4137 available by request