L453-0606 Screening compound: 1-(2,5-dimethylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0606 Screening compound: 1-(2,5-dimethylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0606 Screening compound: 1-(2,5-dimethylphenyl)-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 L453-0606
1-(2,5-dimethylphenyl)-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

L453-0606

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

1-(25-dimethylphenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)urea

SMILES

Cc1cc(NC(N(C)CCc2noc(-c(cc3)ccc3C(N3CCCCC3)=O)n2)=O)c(C)cc1

InChI

InChI=1S/C26H31N5O3/c1-18-7-8-19(2)22(17-18)27-26(33)30(3)16-13-23-28-24(34-29-23)20-9-11-21(12-10-20)25(32)31-14-5-4-6-15-31/h7-12,17H,4-6,13-16H2,1-3H3,(H,27,33)

InChI Key

ZIGFPULVTNGFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

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

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-3.83

Polar Surface Area

73.806

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L453-0606 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 L453-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0606?
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What is the minimum amount of L453-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0606
  • 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 L453-0606 available by request