D614-0052 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

D614-0052 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
D614-0052 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-{[4-(propan-2-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0052
N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-{[4-(propan-2-yl)phenyl]methyl}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

D614-0052

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

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

IUPAC name

N-{56-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

SMILES

CC(C)c1ccc(CN(C(C)=O)c(nc2NC(C)=C3C)nn2C3=O)cc1

InChI

InChI=1S/C19H23N5O2/c1-11(2)16-8-6-15(7-9-16)10-23(14(5)25)19-21-18-20-13(4)12(3)17(26)24(18)22-19/h6-9,11H,10H2,1-5H3,(H,20,21,22)

InChI Key

WDILOYYTLHRGQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.33

Polar Surface Area

65.541

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with D614-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0052?
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What is the minimum amount of D614-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0052
  • 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 D614-0052 available by request