D584-3916 Screening compound: 2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-(4-ethylphenyl)acetamide

D584-3916 Screening compound: 2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-(4-ethylphenyl)acetamide
D584-3916 Screening compound: 2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-3916
2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-(4-ethylphenyl)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

D584-3916

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-(4-ethylphenyl)acetamide

IUPAC name

2-{6-butyl-5-methyl-7-oxo-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-4-yl}-N-(4-ethylphenyl)acetamide

SMILES

CCCCC1=C(C)N(CC(Nc2ccc(CC)cc2)=O)c2nc(-c3ccccc3)nn2C1=O

InChI

InChI=1S/C26H29N5O2/c1-4-6-12-22-18(3)30(17-23(32)27-21-15-13-19(5-2)14-16-21)26-28-24(29-31(26)25(22)33)20-10-8-7-9-11-20/h7-11,13-16H,4-6,12,17H2,1-3H3,(H,27,32)

InChI Key

PIEXWUNIOMSDBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.069

Distribution Coefficient, logD

6.069

Water Solubility, LogSw

-5.32

Polar Surface Area

61.632

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with D584-3916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-3916?
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What is the minimum amount of D584-3916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-3916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-3916
  • 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 D584-3916 available by request