D439-4145 Screening compound: 2-(3,4-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

D439-4145 Screening compound: 2-(3,4-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
D439-4145 Screening compound: 2-(3,4-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 D439-4145
2-(3,4-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

D439-4145

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

2-(3,4-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-(34-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(COc3cc(C)c(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)13-35-23-11-20(8-6-18(23)4)28-24(32)14-34-22-9-7-17(3)19(5)10-22/h6-12,15-16H,13-14H2,1-5H3,(H,28,32)

InChI Key

CXEJHLJBSNXTNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828957

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

3.741

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-4.08

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

D439-4145 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D439-4145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4145?
Check Price and Availability of D439-4145, 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 D439-4145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4145
  • 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 D439-4145 available by request