L078-0445 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

L078-0445 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
L078-0445 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0445
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)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

L078-0445

Molecular Formula

C22H22N4O5S2 (C22 H22 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22N4O5S2/c1-14-2-5-17(6-3-14)33(28,29)26-10-8-15(9-11-26)21-24-25-22(32-21)20(27)23-16-4-7-18-19(12-16)31-13-30-18/h2-7,12,15H,8-11,13H2,1H3,(H,23,27)

InChI Key

DNURORRHZONIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.77

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

31.80

L078-0445 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L078-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0445?
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What is the minimum amount of L078-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0445
  • 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 L078-0445 available by request