L453-0641 Screening compound: methyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate

L453-0641 Screening compound: methyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate
L453-0641 Screening compound: methyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0641
methyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate

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

L453-0641

Molecular Formula

C24H33N5O5 (C24 H33 N5 O5)

Compound Name

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

IUPAC name

methyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate

SMILES

CC(C)C(C(OC)=O)NC(N(C)CCc1noc(-c(cc2)ccc2C(N2CCCCC2)=O)n1)=O

InChI

InChI=1S/C24H33N5O5/c1-16(2)20(23(31)33-4)26-24(32)28(3)15-12-19-25-21(34-27-19)17-8-10-18(11-9-17)22(30)29-13-6-5-7-14-29/h8-11,16,20H,5-7,12-15H2,1-4H3,(H,26,32)/t20-/m0/s1

InChI Key

JSSOHRMYOVHBQG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27253246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.30

Polar Surface Area

96.624

Acid Dissociation Constant (pKa)

15.54

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

L453-0641 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0641?
Check Price and Availability of L453-0641, 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 L453-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0641
  • 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 L453-0641 available by request