Y031-1452 Screening compound: 4-tert-butyl-N-cyclooctylbenzamide

Y031-1452 Screening compound: 4-tert-butyl-N-cyclooctylbenzamide
Y031-1452 Screening compound: 4-tert-butyl-N-cyclooctylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1452
4-tert-butyl-N-cyclooctylbenzamide

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

Y031-1452

Molecular Formula

C19H29NO (C19 H29 NO)

Compound Name

4-tert-butyl-N-cyclooctylbenzamide

IUPAC name

4-tert-butyl-N-cyclooctylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC1CCCCCCC1)=O

InChI

InChI=1S/C19H29NO/c1-19(2,3)16-13-11-15(12-14-16)18(21)20-17-9-7-5-4-6-8-10-17/h11-14,17H,4-10H2,1-3H3,(H,20,21)

InChI Key

LHNSBIUPQDSYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-5.49

Polar Surface Area

24.708

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

Y031-1452 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1452?
Check Price and Availability of Y031-1452, 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 Y031-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1452
  • 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 Y031-1452 available by request