S752-1054 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-carboxamide

S752-1054 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-carboxamide
S752-1054 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-1054
N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-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

S752-1054

Molecular Formula

C27H33N3O (C27 H33 N3 O)

Compound Name

N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-carboxamide

IUPAC name

N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]quinoline-2-carboxamide

SMILES

CC(C)N1CCC(Cc2ccc(CCNC(c3nc4ccccc4cc3)=O)cc2)CC1

InChI

InChI=1S/C27H33N3O/c1-20(2)30-17-14-23(15-18-30)19-22-9-7-21(8-10-22)13-16-28-27(31)26-12-11-24-5-3-4-6-25(24)29-26/h3-12,20,23H,13-19H2,1-2H3,(H,28,31)

InChI Key

VDNNGYOMUDIPQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-5.31

Polar Surface Area

36.609

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

S752-1054 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S752-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-1054?
Check Price and Availability of S752-1054, 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 S752-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-1054
  • 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 S752-1054 available by request