D103-1329 Screening compound: 6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide

D103-1329 Screening compound: 6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide
D103-1329 Screening compound: 6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1329
6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide

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

D103-1329

Molecular Formula

C26H17ClN2O6 (C26 H17 ClN2 O6)

Compound Name

6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide

IUPAC name

6-chloro-N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide

SMILES

COc(cc1)ccc1NC(c(oc1c2cccc1)c2NC(C(Oc(cc1)c2cc1Cl)=CC2=O)=O)=O

InChI

InChI=1S/C26H17ClN2O6/c1-33-16-9-7-15(8-10-16)28-26(32)24-23(17-4-2-3-5-20(17)35-24)29-25(31)22-13-19(30)18-12-14(27)6-11-21(18)34-22/h2-13H,1H3,(H,28,32)(H,29,31)

InChI Key

DABOTDXQXJCXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07425745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-5.20

Polar Surface Area

82.913

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

D103-1329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D103-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1329?
Check Price and Availability of D103-1329, 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 D103-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1329
  • 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 D103-1329 available by request