D439-4148 Screening compound: 2-(4-ethylphenoxy)-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

D439-4148 Screening compound: 2-(4-ethylphenoxy)-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
D439-4148 Screening compound: 2-(4-ethylphenoxy)-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 D439-4148
2-(4-ethylphenoxy)-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

D439-4148

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

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

SMILES

CCc(cc1)ccc1OCC(Nc1cc(OCC(N=C2N=CN(C(C)C)N22)=CC2=O)c(C)cc1)=O

InChI

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

InChI Key

UDNRAJHXMGVRRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828960

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

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.82

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

30.80

D439-4148 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D439-4148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4148?
Check Price and Availability of D439-4148, 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 D439-4148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4148
  • 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 D439-4148 available by request