L840-0448 Screening compound: ethyl 1-({4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

L840-0448 Screening compound: ethyl 1-({4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate
L840-0448 Screening compound: ethyl 1-({4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L840-0448
ethyl 1-({4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

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

L840-0448

Molecular Formula

C20H26N4O6S2 (C20 H26 N4 O6 S2)

Compound Name

ethyl 1-({4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-({4-[5-(piperidine-1-carbonyl)-134-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1cc(-c2nnc(C(N3CCCCC3)=O)o2)cs1)(=O)=O)=O

InChI

InChI=1S/C20H26N4O6S2/c1-2-29-20(26)14-6-10-24(11-7-14)32(27,28)16-12-15(13-31-16)17-21-22-18(30-17)19(25)23-8-4-3-5-9-23/h12-14H,2-11H2,1H3

InChI Key

PAOWPRSRGAWEIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.33

Polar Surface Area

100.885

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

L840-0448 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L840-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L840-0448?
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What is the minimum amount of L840-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L840-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L840-0448
  • 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 L840-0448 available by request