L078-0439 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

L078-0439 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
L078-0439 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0439
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

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

L078-0439

Molecular Formula

C18H22N4O5S2 (C18 H22 N4 O5 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-[1-(propane-1-sulfonyl)piperidin-4-yl]-134-thiadiazole-2-carboxamide

SMILES

CCCS(N(CC1)CCC1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)(=O)=O

InChI

InChI=1S/C18H22N4O5S2/c1-2-9-29(24,25)22-7-5-12(6-8-22)17-20-21-18(28-17)16(23)19-13-3-4-14-15(10-13)27-11-26-14/h3-4,10,12H,2,5-9,11H2,1H3,(H,19,23)

InChI Key

FMAAKSUGOOAZFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-3.08

Polar Surface Area

95.554

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L078-0439 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L078-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0439?
Check Price and Availability of L078-0439, 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 L078-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0439
  • 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 L078-0439 available by request