6959-1400 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-1400 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-1400 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-1400
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-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

6959-1400

Molecular Formula

C25H16BrNO6 (C25 H16 BrNO6)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-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-bromo-1-(4-hydroxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

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

InChI

InChI=1S/C25H16BrNO6/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

RJUSHRIVKZPJTB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04448588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.31

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

4.402

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.34

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

6959-1400 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 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

References: we are preparing a list of scientific research reports with 6959-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-1400?
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What is the minimum amount of 6959-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-1400
  • 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 6959-1400 available by request