L850-0691 Screening compound: N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

L850-0691 Screening compound: N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
L850-0691 Screening compound: N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0691
N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(3-phenyl-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

L850-0691

Molecular Formula

C22H22N6O2S (C22 H22 N6 O2 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{[4-ethyl-5-(3-phenyl-124-oxadiazol-5-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCn1c(SCC(Nc2c(C)c(C)ccc2)=O)nnc1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C22H22N6O2S/c1-4-28-20(21-24-19(27-30-21)16-10-6-5-7-11-16)25-26-22(28)31-13-18(29)23-17-12-8-9-14(2)15(17)3/h5-12H,4,13H2,1-3H3,(H,23,29)

InChI Key

CMRZZZZQBHTAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.31

Polar Surface Area

78.094

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L850-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0691?
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What is the minimum amount of L850-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0691
  • 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 L850-0691 available by request