4401-0028 Screening compound: 2-[5-(4-chlorophenyl)-2-furyl]-1-ethanol

4401-0028 Screening compound: 2-[5-(4-chlorophenyl)-2-furyl]-1-ethanol
4401-0028 Screening compound: 2-[5-(4-chlorophenyl)-2-furyl]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0028
2-[5-(4-chlorophenyl)-2-furyl]-1-ethanol

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

4401-0028

Molecular Formula

C12H11ClO2 (C12 H11 ClO2)

Compound Name

2-[5-(4-chlorophenyl)-2-furyl]-1-ethanol

IUPAC name

n/a

SMILES

OCCc1ccc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C12H11ClO2/c13-10-3-1-9(2-4-10)12-6-5-11(15-12)7-8-14/h1-6,14H,7-8H2

InChI Key

PWKIVYGHZWWLCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.67

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.24

Polar Surface Area

24.464

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4401-0028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4401-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0028?
Check Price and Availability of 4401-0028, 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 4401-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0028
  • 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 4401-0028 available by request