L445-0314 Screening compound: N-butyl-1-[4-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-4-carboxamide

L445-0314 Screening compound: N-butyl-1-[4-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-4-carboxamide
L445-0314 Screening compound: N-butyl-1-[4-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L445-0314
N-butyl-1-[4-(4-tert-butylbenzenesulfonamido)benzoyl]piperidine-4-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

L445-0314

Molecular Formula

C27H37N3O4S (C27 H37 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(C(CC1)CCN1C(c(cc1)ccc1NS(c1ccc(C(C)(C)C)cc1)(=O)=O)=O)=O

InChI

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

InChI Key

BTMQCPDEUPKSEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127778

Chemical and Physical Properties

Saltdata

CF3COOH

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

4.729

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.36

Polar Surface Area

82.063

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

L445-0314 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with L445-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L445-0314?
Check Price and Availability of L445-0314, 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 L445-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L445-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L445-0314
  • 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 L445-0314 available by request