L078-0454 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

L078-0454 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
L078-0454 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0454
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-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

L078-0454

Molecular Formula

C22H22N4O5S2 (C22 H22 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1S(N(CC1)CCC1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)(=O)=O

InChI

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

InChI Key

PYBICKKYDFDUCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229447

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

3.403

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.60

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

L078-0454 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L078-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0454?
Check Price and Availability of L078-0454, 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 L078-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0454
  • 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 L078-0454 available by request