D584-0123 Screening compound: N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

D584-0123 Screening compound: N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
D584-0123 Screening compound: N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0123
N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]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

D584-0123

Molecular Formula

C23H20ClN5O2 (C23 H20 ClN5 O2)

Compound Name

N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]acetamide

SMILES

CC(N(CC=C)c1nc(-c2ccccc2)nn11)=C(CC(Nc2cccc(Cl)c2)=O)C1=O

InChI

InChI=1S/C23H20ClN5O2/c1-3-12-28-15(2)19(14-20(30)25-18-11-7-10-17(24)13-18)22(31)29-23(28)26-21(27-29)16-8-5-4-6-9-16/h3-11,13H,1,12,14H2,2H3,(H,25,30)

InChI Key

TXRBBYQYCGWSPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.57

Polar Surface Area

61.610

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with D584-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0123?
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What is the minimum amount of D584-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0123
  • 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 D584-0123 available by request