L077-0696 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methoxyphenyl)piperidine-1-carboxamide

L077-0696 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methoxyphenyl)piperidine-1-carboxamide
L077-0696 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methoxyphenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0696
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methoxyphenyl)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

L077-0696

Molecular Formula

C23H23N5O5S (C23 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(N(CC1)CCC1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O

InChI

InChI=1S/C23H23N5O5S/c1-31-17-5-2-15(3-6-17)25-23(30)28-10-8-14(9-11-28)21-26-27-22(34-21)20(29)24-16-4-7-18-19(12-16)33-13-32-18/h2-7,12,14H,8-11,13H2,1H3,(H,24,29)(H,25,30)

InChI Key

YMSIFFLANHWNBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.63

Polar Surface Area

96.690

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L077-0696 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 L077-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0696?
Check Price and Availability of L077-0696, 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 L077-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0696
  • 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 L077-0696 available by request