D038-1119 Screening compound: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

D038-1119 Screening compound: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
D038-1119 Screening compound: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1119
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]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

D038-1119

Molecular Formula

C27H20FNO4 (C27 H20 FNO4)

Compound Name

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

IUPAC name

2-(67-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

SMILES

Cc(cc1)c(C)c2c1c(CC(Nc1c(C(c(cc3)ccc3F)=O)oc3c1cccc3)=O)co2

InChI

InChI=1S/C27H20FNO4/c1-15-7-12-20-18(14-32-26(20)16(15)2)13-23(30)29-24-21-5-3-4-6-22(21)33-27(24)25(31)17-8-10-19(28)11-9-17/h3-12,14H,13H2,1-2H3,(H,29,30)

InChI Key

NPYQUBNIHSXFPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.989

Distribution Coefficient, logD

5.985

Water Solubility, LogSw

-5.83

Polar Surface Area

53.506

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D038-1119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 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
  • 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 D038-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1119?
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What is the minimum amount of D038-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1119
  • 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 D038-1119 available by request