L850-1782 Screening compound: ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

L850-1782 Screening compound: ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
L850-1782 Screening compound: ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-1782
ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

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

L850-1782

Molecular Formula

C22H20N6O4S (C22 H20 N6 O4 S)

Compound Name

ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[4-methyl-5-(3-phenyl-124-oxadiazol-5-yl)-4H-124-triazol-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(-c2nc(-c3ccccc3)no2)n1C)=O)=O

InChI

InChI=1S/C22H20N6O4S/c1-3-31-21(30)15-9-11-16(12-10-15)23-17(29)13-33-22-26-25-19(28(22)2)20-24-18(27-32-20)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,29)

InChI Key

LFAICXOXPVTGLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-3.99

Polar Surface Area

100.631

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with L850-1782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-1782?
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What is the minimum amount of L850-1782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-1782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-1782
  • 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 L850-1782 available by request