L581-0303 Screening compound: N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-carboxamide

L581-0303 Screening compound: N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-carboxamide
L581-0303 Screening compound: N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L581-0303
N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-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

L581-0303

Molecular Formula

C27H37N3O4S (C27 H37 N3 O4 S)

Compound Name

N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-carboxamide

IUPAC name

N-butyl-1-[3-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-3-carboxamide

SMILES

CCCCNC(C(CCC1)CN1C(c1cccc(NS(c2ccc(C(C)(C)C)cc2)(=O)=O)c1)=O)=O

InChI

InChI=1S/C27H37N3O4S/c1-5-6-16-28-25(31)21-10-8-17-30(19-21)26(32)20-9-7-11-23(18-20)29-35(33,34)24-14-12-22(13-15-24)27(2,3)4/h7,9,11-15,18,21,29H,5-6,8,10,16-17,19H2,1-4H3,(H,28,31)/t21-/m0/s1

InChI Key

GJMDDQFOFLERJA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27463765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

4.996

Water Solubility, LogSw

-4.69

Polar Surface Area

81.996

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

L581-0303 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L581-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L581-0303?
Check Price and Availability of L581-0303, 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 L581-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L581-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L581-0303
  • 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 L581-0303 available by request