L078-0277 Screening compound: N-(3-chlorophenyl)-5-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

L078-0277 Screening compound: N-(3-chlorophenyl)-5-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
L078-0277 Screening compound: N-(3-chlorophenyl)-5-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0277
N-(3-chlorophenyl)-5-[1-(4-methoxybenzenesulfonyl)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

L078-0277

Molecular Formula

C21H21ClN4O4S2 (C21 H21 ClN4 O4 S2)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-5-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)ccc1S(N(CC1)CCC1c1nnc(C(Nc2cccc(Cl)c2)=O)s1)(=O)=O

InChI

InChI=1S/C21H21ClN4O4S2/c1-30-17-5-7-18(8-6-17)32(28,29)26-11-9-14(10-12-26)20-24-25-21(31-20)19(27)23-16-4-2-3-15(22)13-16/h2-8,13-14H,9-12H2,1H3,(H,23,27)

InChI Key

KCTNBUPSOAXIPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.50

Polar Surface Area

85.817

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L078-0277 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 L078-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0277?
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What is the minimum amount of L078-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0277
  • 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 L078-0277 available by request