6959-0728 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0728 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0728 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0728
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6959-0728

Molecular Formula

C25H16ClNO6 (C25 H16 ClNO6)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Oc1ccc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(Cc(cc2)cc4c2OCO4)C3=O)cc1

InChI

InChI=1S/C25H16ClNO6/c26-15-4-8-18-17(10-15)23(29)21-22(14-2-5-16(28)6-3-14)27(25(30)24(21)33-18)11-13-1-7-19-20(9-13)32-12-31-19/h1-10,22,28H,11-12H2/t22-/m1/s1

InChI Key

OUOPTEHBQFKGCZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04448392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.55

Polar Surface Area

71.465

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

6959-0728 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6959-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0728?
Check Price and Availability of 6959-0728, 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 6959-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0728
  • 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 6959-0728 available by request