1892-0026 Screening compound: 3-phenyl-octahydro-1H-2-benzopyran

1892-0026 Screening compound: 3-phenyl-octahydro-1H-2-benzopyran
1892-0026 Screening compound: 3-phenyl-octahydro-1H-2-benzopyran alternative view

Chemical Structure Depiction of ChemDiv screening compound 1892-0026
3-phenyl-octahydro-1H-2-benzopyran

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

1892-0026

Molecular Formula

C15H20O (C15 H20 O)

Compound Name

3-phenyl-octahydro-1H-2-benzopyran

IUPAC name

3-phenyl-octahydro-1H-2-benzopyran

SMILES

C(CC1)CC(C2)C1COC2c1ccccc1

InChI

InChI=1S/C15H20O/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-3,6-7,13-15H,4-5,8-11H2

InChI Key

COBJIHIHBXGBBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.32

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.04

Polar Surface Area

8.431

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

1892-0026 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1892-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1892-0026?
Check Price and Availability of 1892-0026, 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 1892-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1892-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1892-0026
  • 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 1892-0026 available by request