L077-0694 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-phenylpiperidine-1-carboxamide

L077-0694 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-phenylpiperidine-1-carboxamide
L077-0694 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-phenylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0694
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-phenylpiperidine-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

L077-0694

Molecular Formula

C22H21N5O4S (C22 H21 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nnc(C(CC2)CCN2C(Nc2ccccc2)=O)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H21N5O4S/c28-19(23-16-6-7-17-18(12-16)31-13-30-17)21-26-25-20(32-21)14-8-10-27(11-9-14)22(29)24-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,23,28)(H,24,29)

InChI Key

STGZJEFMHGGHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.51

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

3.116

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.43

Polar Surface Area

89.147

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L077-0694 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L077-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0694?
Check Price and Availability of L077-0694, 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 L077-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0694
  • 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 L077-0694 available by request