L850-0113 Screening compound: N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-0113 Screening compound: N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-0113 Screening compound: N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0113
N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

L850-0113

Molecular Formula

C22H22N6O3S (C22 H22 N6 O3 S)

Compound Name

N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-benzyl-2-({4-ethyl-5-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(NCc2ccccc2)=O)nnc1-c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C22H22N6O3S/c1-3-28-20(21-24-19(27-31-21)16-9-11-17(30-2)12-10-16)25-26-22(28)32-14-18(29)23-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,23,29)

InChI Key

GCOSTAVLFNAPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-4.01

Polar Surface Area

87.658

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L850-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0113?
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What is the minimum amount of L850-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0113
  • 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 L850-0113 available by request