C663-0676 Screening compound: methyl 2-({5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

C663-0676 Screening compound: methyl 2-({5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
C663-0676 Screening compound: methyl 2-({5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0676
methyl 2-({5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

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

C663-0676

Molecular Formula

C15H17N3O5S (C15 H17 N3 O5 S)

Compound Name

methyl 2-({5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

IUPAC name

methyl 2-({5-[(2H-13-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)acetate

SMILES

CCn1c(SCC(OC)=O)nnc1COc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H17N3O5S/c1-3-18-13(16-17-15(18)24-8-14(19)20-2)7-21-10-4-5-11-12(6-10)23-9-22-11/h4-6H,3,7-9H2,1-2H3

InChI Key

GWHRJOQWSCLCQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03837975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-2.29

Polar Surface Area

70.407

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C663-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0676?
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What is the minimum amount of C663-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0676
  • 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 C663-0676 available by request