S425-0746 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

S425-0746 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
S425-0746 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0746
3-(1H-1,3-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

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

S425-0746

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

IUPAC name

3-(1H-13-benzodiazol-2-yl)-1-[4-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

SMILES

O=C(CCc1nc(cccc2)c2[nH]1)N(CC1)CCC1OCCOc1ccccc1

InChI

InChI=1S/C23H27N3O3/c27-23(11-10-22-24-20-8-4-5-9-21(20)25-22)26-14-12-19(13-15-26)29-17-16-28-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,25)

InChI Key

QCWGSXRBMOAGKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.20

Polar Surface Area

50.719

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

S425-0746 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S425-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0746?
Check Price and Availability of S425-0746, 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 S425-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0746
  • 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 S425-0746 available by request