8017-2678 Screening compound: N~2~-[7-(2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide

8017-2678 Screening compound: N~2~-[7-(2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide
8017-2678 Screening compound: N~2~-[7-(2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2678
N~2~-[7-(2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide

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

8017-2678

Molecular Formula

C20H14FNO4S (C20 H14 FNO4 S)

Compound Name

N~2~-[7-(2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide

IUPAC name

N-[7-(2-fluorobenzoyl)-23-dihydro-14-benzodioxin-6-yl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)Nc(cc1OCCOc1c1)c1C(c(cccc1)c1F)=O

InChI

InChI=1S/C20H14FNO4S/c21-14-5-2-1-4-12(14)19(23)13-10-16-17(26-8-7-25-16)11-15(13)22-20(24)18-6-3-9-27-18/h1-6,9-11H,7-8H2,(H,22,24)

InChI Key

IKECZZIVAWAFOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.86

Polar Surface Area

52.940

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8017-2678 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-2678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2678?
Check Price and Availability of 8017-2678, 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 8017-2678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2678
  • 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 8017-2678 available by request