S752-1088 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

S752-1088 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
S752-1088 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-1088
N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-1,3-benzodiazole-5-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

S752-1088

Molecular Formula

C25H32N4O (C25 H32 N4 O)

Compound Name

N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)N1CCC(Cc2ccc(CCNC(c(cc3)cc4c3[nH]cn4)=O)cc2)CC1

InChI

InChI=1S/C25H32N4O/c1-18(2)29-13-10-21(11-14-29)15-20-5-3-19(4-6-20)9-12-26-25(30)22-7-8-23-24(16-22)28-17-27-23/h3-8,16-18,21H,9-15H2,1-2H3,(H,26,30)(H,27,28)

InChI Key

VFNIBQJXYIMMQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

1.011

Water Solubility, LogSw

-3.87

Polar Surface Area

48.808

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

S752-1088 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)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S752-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-1088?
Check Price and Availability of S752-1088, 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 S752-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-1088
  • 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 S752-1088 available by request