8012-9709 Screening compound: N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-diethoxyphenyl)acetamide

8012-9709 Screening compound: N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-diethoxyphenyl)acetamide
8012-9709 Screening compound: N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-diethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9709
N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-diethoxyphenyl)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

8012-9709

Molecular Formula

C27H23ClFNO5 (C27 H23 ClFNO5)

Compound Name

N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-diethoxyphenyl)acetamide

IUPAC name

N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(34-diethoxyphenyl)acetamide

SMILES

CCOc(ccc(CC(Nc1c(C(c(cc2)ccc2F)=O)oc(cc2)c1cc2Cl)=O)c1)c1OCC

InChI

InChI=1S/C27H23ClFNO5/c1-3-33-22-11-5-16(13-23(22)34-4-2)14-24(31)30-25-20-15-18(28)8-12-21(20)35-27(25)26(32)17-6-9-19(29)10-7-17/h5-13,15H,3-4,14H2,1-2H3,(H,30,31)

InChI Key

XNUFXNBUPCFLCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-5.96

Polar Surface Area

58.134

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

8012-9709 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 8012-9709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9709?
Check Price and Availability of 8012-9709, 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 8012-9709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9709
  • 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 8012-9709 available by request