L453-0189 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0189 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0189 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0189
3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

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

L453-0189

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

IUPAC name

3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)urea

SMILES

Cc(cccc1)c1NC(N(C)CCc1noc(-c(cc2)ccc2C(N2CCCC2)=O)n1)=O

InChI

InChI=1S/C24H27N5O3/c1-17-7-3-4-8-20(17)25-24(31)28(2)16-13-21-26-22(32-27-21)18-9-11-19(12-10-18)23(30)29-14-5-6-15-29/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,25,31)

InChI Key

IAPGKAZEGSNSTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-3.34

Polar Surface Area

74.172

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L453-0189 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L453-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0189?
Check Price and Availability of L453-0189, 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 L453-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0189
  • 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 L453-0189 available by request