L453-0640 Screening compound: ethyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate

L453-0640 Screening compound: ethyl 3-methyl-2-{[methyl(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)carbamoyl]amino}butanoate
L453-0640 Screening compound: ethyl 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 L453-0640
ethyl 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

L453-0640

Molecular Formula

C25H35N5O5 (C25 H35 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H35N5O5/c1-5-34-24(32)21(17(2)3)27-25(33)29(4)16-13-20-26-22(35-28-20)18-9-11-19(12-10-18)23(31)30-14-7-6-8-15-30/h9-12,17,21H,5-8,13-16H2,1-4H3,(H,27,33)/t21-/m0/s1

InChI Key

WHGKQYXFLIIKBE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27253245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.36

Polar Surface Area

96.204

Acid Dissociation Constant (pKa)

15.54

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

L453-0640 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 L453-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0640?
Check Price and Availability of L453-0640, 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 L453-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0640
  • 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 L453-0640 available by request