7706-0011 Screening compound: 1-(2-furyl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)-1-propanone

7706-0011 Screening compound: 1-(2-furyl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)-1-propanone
7706-0011 Screening compound: 1-(2-furyl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0011
1-(2-furyl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)-1-propanone

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

7706-0011

Molecular Formula

C16H18O3S (C16 H18 O3 S)

Compound Name

1-(2-furyl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)-1-propanone

IUPAC name

1-(furan-2-yl)-3-[(2-hydroxyethyl)sulfanyl]-3-(4-methylphenyl)propan-1-one

SMILES

Cc1ccc(C(CC(c2ccco2)=O)SCCO)cc1

InChI

InChI=1S/C16H18O3S/c1-12-4-6-13(7-5-12)16(20-10-8-17)11-14(18)15-3-2-9-19-15/h2-7,9,16-17H,8,10-11H2,1H3/t16-/m0/s1

InChI Key

PIRIGGVEFQHHDW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02330633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.939

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-2.99

Polar Surface Area

38.448

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

7706-0011 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7706-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0011?
Check Price and Availability of 7706-0011, 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 7706-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0011
  • 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 7706-0011 available by request