D439-4142 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide

D439-4142 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide
D439-4142 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-4142
2-(2,4-dimethylphenoxy)-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)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

D439-4142

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

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

IUPAC name

2-(24-dimethylphenoxy)-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methoxy}phenyl)acetamide

SMILES

CC(C)N(C=NC1=NC(COc2c(C)ccc(NC(COc3c(C)cc(C)cc3)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C26H29N5O4/c1-16(2)30-15-27-26-29-21(12-25(33)31(26)30)13-34-23-11-20(8-7-18(23)4)28-24(32)14-35-22-9-6-17(3)10-19(22)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,32)

InChI Key

DPLYHXYWPSAHNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

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

3.829

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-4.03

Polar Surface Area

80.226

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D439-4142 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with D439-4142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4142?
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What is the minimum amount of D439-4142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4142
  • 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 D439-4142 available by request