D439-6359 Screening compound: 2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide

D439-6359 Screening compound: 2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
D439-6359 Screening compound: 2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-6359
2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)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

D439-6359

Molecular Formula

C24H24ClN5O3S (C24 H24 ClN5 O3 S)

Compound Name

2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide

IUPAC name

2-(4-chlorophenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide

SMILES

CC(C)CN(C=NC1=NC(CSc(cccc2)c2NC(COc(cc2)ccc2Cl)=O)=C2)N1C2=O

InChI

InChI=1S/C24H24ClN5O3S/c1-16(2)12-29-15-26-24-27-18(11-23(32)30(24)29)14-34-21-6-4-3-5-20(21)28-22(31)13-33-19-9-7-17(25)8-10-19/h3-11,15-16H,12-14H2,1-2H3,(H,28,31)

InChI Key

JWMZJVYKFDUKRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.97

Polar Surface Area

70.197

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D439-6359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6359?
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What is the minimum amount of D439-6359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6359
  • 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 D439-6359 available by request