6959-1256 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-1256 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-1256 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-1256
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-[3-(3-methylbutoxy)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

6959-1256

Molecular Formula

C30H26FNO6 (C30 H26 FNO6)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)CCOc1cccc(C(C2=C3Oc(ccc(F)c4)c4C2=O)N(Cc(cc2)cc4c2OCO4)C3=O)c1

InChI

InChI=1S/C30H26FNO6/c1-17(2)10-11-35-21-5-3-4-19(13-21)27-26-28(33)22-14-20(31)7-9-23(22)38-29(26)30(34)32(27)15-18-6-8-24-25(12-18)37-16-36-24/h3-9,12-14,17,27H,10-11,15-16H2,1-2H3/t27-/m1/s1

InChI Key

OJLNGZHOMJLCAG-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD06646866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.111

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-5.50

Polar Surface Area

61.266

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 6959-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-1256?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-1256
  • 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 6959-1256 available by request