L828-0841 Screening compound: ethyl 1-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

L828-0841 Screening compound: ethyl 1-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate
L828-0841 Screening compound: ethyl 1-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L828-0841
ethyl 1-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-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

L828-0841

Molecular Formula

C20H20FN3O5S2 (C20 H20 FN3 O5 S2)

Compound Name

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

IUPAC name

ethyl 1-({4-[3-(3-fluorophenyl)-124-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1cc(-c2nc(-c3cc(F)ccc3)no2)cs1)(=O)=O)=O

InChI

InChI=1S/C20H20FN3O5S2/c1-2-28-20(25)13-6-8-24(9-7-13)31(26,27)17-11-15(12-30-17)19-22-18(23-29-19)14-4-3-5-16(21)10-14/h3-5,10-13H,2,6-9H2,1H3

InChI Key

NYPCXIZPLSUOMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.21

Polar Surface Area

85.127

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L828-0841 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L828-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L828-0841?
Check Price and Availability of L828-0841, 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 L828-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L828-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L828-0841
  • 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 L828-0841 available by request