8011-0373 Screening compound: 1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidine]-4'-carboxamide

8011-0373 Screening compound: 1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidine]-4'-carboxamide
8011-0373 Screening compound: 1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidine]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0373
1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidine]-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

8011-0373

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidine]-4'-carboxamide

IUPAC name

1'-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-[14'-bipiperidine]-4'-carboxamide

SMILES

CC(C)(C#Cc(cc1)ccc1C(N(CC1)CCC1(C(N)=O)N1CCCCC1)=O)O

InChI

InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)

InChI Key

BHTLMZMEQFNADC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.39

Polar Surface Area

70.210

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

8011-0373 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8011-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0373?
Check Price and Availability of 8011-0373, 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 8011-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0373
  • 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 8011-0373 available by request