L078-0590 Screening compound: N-(2,4-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

L078-0590 Screening compound: N-(2,4-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
L078-0590 Screening compound: N-(2,4-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0590
N-(2,4-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)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

L078-0590

Molecular Formula

C20H17F3N4O3S2 (C20 H17 F3 N4 O3 S2)

Compound Name

N-(2,4-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(24-difluorophenyl)-5-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)s1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C20H17F3N4O3S2/c21-13-1-4-15(5-2-13)32(29,30)27-9-7-12(8-10-27)19-25-26-20(31-19)18(28)24-17-6-3-14(22)11-16(17)23/h1-6,11-12H,7-10H2,(H,24,28)

InChI Key

NILGMQGAPBZIQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.74

Polar Surface Area

77.575

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L078-0590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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 L078-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0590?
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What is the minimum amount of L078-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0590
  • 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 L078-0590 available by request