L542-0011 Screening compound: 3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

L542-0011 Screening compound: 3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
L542-0011 Screening compound: 3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L542-0011
3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

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

L542-0011

Molecular Formula

C22H20N4OS (C22 H20 N4 OS)

Compound Name

3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(5-methyl-2-phenyl-13-oxazol-4-yl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

Cc1c(CSc2nnc(-c3ccccc3)n2CC=C)nc(-c2ccccc2)o1

InChI

InChI=1S/C22H20N4OS/c1-3-14-26-20(17-10-6-4-7-11-17)24-25-22(26)28-15-19-16(2)27-21(23-19)18-12-8-5-9-13-18/h3-13H,1,14-15H2,2H3

InChI Key

AWDKVJKJUDEYLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.78

Polar Surface Area

42.341

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L542-0011 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L542-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L542-0011?
Check Price and Availability of L542-0011, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L542-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L542-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L542-0011
  • 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 L542-0011 available by request