D439-2910 Screening compound: 2-(3-fluorophenoxy)-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide

D439-2910 Screening compound: 2-(3-fluorophenoxy)-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide
D439-2910 Screening compound: 2-(3-fluorophenoxy)-N-(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 D439-2910
2-(3-fluorophenoxy)-N-(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

D439-2910

Molecular Formula

C23H22FN5O4 (C23 H22 FN5 O4)

Compound Name

2-(3-fluorophenoxy)-N-(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-(3-fluorophenoxy)-N-(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(COc2cccc(NC(COc3cccc(F)c3)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C23H22FN5O4/c1-15(2)28-14-25-23-27-18(11-22(31)29(23)28)12-32-20-8-4-6-17(10-20)26-21(30)13-33-19-7-3-5-16(24)9-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,30)

InChI Key

GCTRYOFAXKZYJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.46

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

2.406

Distribution Coefficient, logD

2.062

Water Solubility, LogSw

-3.01

Polar Surface Area

80.053

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D439-2910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-2910?
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What is the minimum amount of D439-2910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-2910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-2910
  • 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 D439-2910 available by request