8010-6585 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone

8010-6585 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone
8010-6585 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6585
2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone

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

8010-6585

Molecular Formula

C15H16Cl2N4O2S (C15 H16 Cl2 N4 O2 S)

Compound Name

2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone

IUPAC name

2-{[5-(24-dichlorophenyl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

SMILES

Cn1c(SCC(N2CCOCC2)=O)nnc1-c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C15H16Cl2N4O2S/c1-20-14(11-3-2-10(16)8-12(11)17)18-19-15(20)24-9-13(22)21-4-6-23-7-5-21/h2-3,8H,4-7,9H2,1H3

InChI Key

JGTFKFWQEYNBER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.37

Polar Surface Area

49.352

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8010-6585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6585?
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What is the minimum amount of 8010-6585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6585
  • 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 8010-6585 available by request