D439-4250 Screening compound: N-[4-methyl-3-({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methoxy)phenyl]-2-(4-methylphenoxy)acetamide

D439-4250 Screening compound: N-[4-methyl-3-({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methoxy)phenyl]-2-(4-methylphenoxy)acetamide
D439-4250 Screening compound: N-[4-methyl-3-({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methoxy)phenyl]-2-(4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-4250
N-[4-methyl-3-({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methoxy)phenyl]-2-(4-methylphenoxy)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

D439-4250

Molecular Formula

C25H27N5O4 (C25 H27 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C=NC1=NC(COc2c(C)ccc(NC(COc3ccc(C)cc3)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C25H27N5O4/c1-4-11-29-16-26-25-28-20(13-24(32)30(25)29)14-34-22-12-19(8-7-18(22)3)27-23(31)15-33-21-9-5-17(2)6-10-21/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,27,31)

InChI Key

PDMNYZCBMZWDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

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

3.187

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.25

Polar Surface Area

78.459

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D439-4250 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 D439-4250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-4250?
Check Price and Availability of D439-4250, 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 D439-4250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-4250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-4250
  • 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 D439-4250 available by request