D614-0558 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-cyanophenyl)methyl]benzamide

D614-0558 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-cyanophenyl)methyl]benzamide
D614-0558 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-cyanophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0558
N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-cyanophenyl)methyl]benzamide

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

D614-0558

Molecular Formula

C25H24N6O2 (C25 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC1=C(C)Nc2nc(N(Cc(cc3)ccc3C#N)C(c3ccccc3)=O)nn2C1=O

InChI

InChI=1S/C25H24N6O2/c1-3-4-10-21-17(2)27-24-28-25(29-31(24)23(21)33)30(22(32)20-8-6-5-7-9-20)16-19-13-11-18(15-26)12-14-19/h5-9,11-14H,3-4,10,16H2,1-2H3,(H,27,28,29)

InChI Key

VELYZRFYHRKAAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.26

Polar Surface Area

81.857

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with D614-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0558?
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What is the minimum amount of D614-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0558
  • 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 D614-0558 available by request