6959-0638 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0638 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0638 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0638
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-1-[4-(propan-2-yl)phenyl]-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

6959-0638

Molecular Formula

C29H25NO5 (C29 H25 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(C2=C3Oc(ccc(C)c4)c4C2=O)N(Cc(cc2)cc4c2OCO4)C3=O)cc1

InChI

InChI=1S/C29H25NO5/c1-16(2)19-6-8-20(9-7-19)26-25-27(31)21-12-17(3)4-10-22(21)35-28(25)29(32)30(26)14-18-5-11-23-24(13-18)34-15-33-23/h4-13,16,26H,14-15H2,1-3H3/t26-/m1/s1

InChI Key

HXZUMJFZRAHUFR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD04447792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.889

Distribution Coefficient, logD

5.889

Water Solubility, LogSw

-5.52

Polar Surface Area

53.848

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

6959-0638 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6959-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0638?
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What is the minimum amount of 6959-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0638
  • 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 6959-0638 available by request