L078-0461 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

L078-0461 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
L078-0461 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0461
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]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

L078-0461

Molecular Formula

C24H26N4O5S2 (C24 H26 N4 O5 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-{1-[4-(propan-2-yl)benzenesulfonyl]piperidin-4-yl}-134-thiadiazole-2-carboxamide

SMILES

CC(C)c(cc1)ccc1S(N(CC1)CCC1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)(=O)=O

InChI

InChI=1S/C24H26N4O5S2/c1-15(2)16-3-6-19(7-4-16)35(30,31)28-11-9-17(10-12-28)23-26-27-24(34-23)22(29)25-18-5-8-20-21(13-18)33-14-32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,25,29)

InChI Key

LXHIQIQMIBXJAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.29

Polar Surface Area

95.389

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L078-0461 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L078-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0461?
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What is the minimum amount of L078-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0461
  • 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 L078-0461 available by request