C663-0394 Screening compound: ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

C663-0394 Screening compound: ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
C663-0394 Screening compound: ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0394
ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-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

C663-0394

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-(2-ethyl-6-methylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CCc(cccc1C)c1-n1c(SCC(OCC)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C24H28N4O4S/c1-5-17-9-7-8-16(3)22(17)28-20(26-27-24(28)33-15-21(29)32-6-2)14-25-23(30)18-10-12-19(31-4)13-11-18/h7-13H,5-6,14-15H2,1-4H3,(H,25,30)

InChI Key

FZOCUOLMUPJQIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.03

Polar Surface Area

77.746

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C663-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0394?
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What is the minimum amount of C663-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0394
  • 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 C663-0394 available by request