L453-0614 Screening compound: 1-(2-chloro-4-methylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0614 Screening compound: 1-(2-chloro-4-methylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0614 Screening compound: 1-(2-chloro-4-methylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0614
1-(2-chloro-4-methylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-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

L453-0614

Molecular Formula

C25H28ClN5O3 (C25 H28 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(N(C)CCc1noc(-c(cc2)ccc2C(N2CCCCC2)=O)n1)=O

InChI

InChI=1S/C25H28ClN5O3/c1-17-6-11-21(20(26)16-17)27-25(33)30(2)15-12-22-28-23(34-29-22)18-7-9-19(10-8-18)24(32)31-13-4-3-5-14-31/h6-11,16H,3-5,12-15H2,1-2H3,(H,27,33)

InChI Key

MDTYIZBGNJZOCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.98

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

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.53

Polar Surface Area

73.806

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L453-0614 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 L453-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0614?
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What is the minimum amount of L453-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0614
  • 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 L453-0614 available by request