D419-0074 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

D419-0074 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one
D419-0074 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0074
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

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

D419-0074

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CCCC1)N1C(CSc1nnc(-c(cc2)ccc2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C23H26N4O2S/c1-17-8-6-7-15-26(17)21(28)16-30-23-25-24-22(18-11-13-20(29-2)14-12-18)27(23)19-9-4-3-5-10-19/h3-5,9-14,17H,6-8,15-16H2,1-2H3/t17-/m0/s1

InChI Key

APYZQVJCCJMCHX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08469392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.14

Polar Surface Area

47.934

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D419-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0074?
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What is the minimum amount of D419-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0074
  • 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 D419-0074 available by request