L077-0725 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-carboxamide

L077-0725 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-carboxamide
L077-0725 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0725
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-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

L077-0725

Molecular Formula

C23H22ClN5O4S (C23 H22 ClN5 O4 S)

Compound Name

4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-carboxamide

IUPAC name

4-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazol-2-yl}-N-(2-chloro-4-methylphenyl)piperidine-1-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(CC1)CCC1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O

InChI

InChI=1S/C23H22ClN5O4S/c1-13-2-4-17(16(24)10-13)26-23(31)29-8-6-14(7-9-29)21-27-28-22(34-21)20(30)25-15-3-5-18-19(11-15)33-12-32-18/h2-5,10-11,14H,6-9,12H2,1H3,(H,25,30)(H,26,31)

InChI Key

OFCAGANRTNWXKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.53

Polar Surface Area

88.449

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L077-0725 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 L077-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0725?
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What is the minimum amount of L077-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0725
  • 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 L077-0725 available by request