F152-0461 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0461 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0461 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0461
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

F152-0461

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

(5-methyl-2-phenyl-13-oxazol-4-yl)methyl 1-(3-chlorophenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc2c(C)oc(-c3ccccc3)n2)=O)nnn1-c1cccc(Cl)c1

InChI

InChI=1S/C21H17ClN4O3/c1-13-19(24-25-26(13)17-10-6-9-16(22)11-17)21(27)28-12-18-14(2)29-20(23-18)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3

InChI Key

PTNYEYRQBLRPFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.36

Polar Surface Area

66.061

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F152-0461 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F152-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0461?
Check Price and Availability of F152-0461, 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 F152-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0461
  • 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 F152-0461 available by request