8011-6240 Screening compound: N-(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide

8011-6240 Screening compound: N-(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide
8011-6240 Screening compound: N-(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6240
N-(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide

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

8011-6240

Molecular Formula

C17H16FNO3 (C17 H16 FNO3)

Compound Name

N-(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide

IUPAC name

N-(22-dimethyl-2H-13-benzodioxol-5-yl)-2-(4-fluorophenyl)acetamide

SMILES

CC1(C)Oc(cc(cc2)NC(Cc(cc3)ccc3F)=O)c2O1

InChI

InChI=1S/C17H16FNO3/c1-17(2)21-14-8-7-13(10-15(14)22-17)19-16(20)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20)

InChI Key

GYYFZNMJGKKGBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.31

Polar Surface Area

37.015

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8011-6240 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8011-6240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6240?
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What is the minimum amount of 8011-6240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6240
  • 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 8011-6240 available by request