C663-0362 Screening compound: ethyl 2-{[4-(2,6-diethylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

C663-0362 Screening compound: ethyl 2-{[4-(2,6-diethylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
C663-0362 Screening compound: ethyl 2-{[4-(2,6-diethylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0362
ethyl 2-{[4-(2,6-diethylphenyl)-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

C663-0362

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

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

IUPAC name

ethyl 2-{[4-(26-diethylphenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CCc1cccc(CC)c1-n1c(SCC(OCC)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C25H30N4O4S/c1-5-17-9-8-10-18(6-2)23(17)29-21(27-28-25(29)34-16-22(30)33-7-3)15-26-24(31)19-11-13-20(32-4)14-12-19/h8-14H,5-7,15-16H2,1-4H3,(H,26,31)

InChI Key

ACLPNYRDFMOPCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.587

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.27

Polar Surface Area

77.746

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C663-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0362?
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What is the minimum amount of C663-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0362
  • 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 C663-0362 available by request