FF01-1271 Screening compound: 6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol

FF01-1271 Screening compound: 6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol
FF01-1271 Screening compound: 6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-1271
6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol

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

FF01-1271

Molecular Formula

C13H18O3 (C13 H18 O3)

Compound Name

6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol

IUPAC name

6-ethoxy-22-dimethyl-34-dihydro-2H-1-benzopyran-4-ol

SMILES

CCOc(cc1)cc2c1OC(C)(C)CC2O

InChI

InChI=1S/C13H18O3/c1-4-15-9-5-6-12-10(7-9)11(14)8-13(2,3)16-12/h5-7,11,14H,4,8H2,1-3H3/t11-/m1/s1

InChI Key

BZBKSEGFBFWCKO-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09882027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.54

Polar Surface Area

29.311

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

FF01-1271 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with FF01-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-1271?
Check Price and Availability of FF01-1271, 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 FF01-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-1271
  • 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 FF01-1271 available by request