6959-1268 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-1268 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-1268 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-1268
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-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

6959-1268

Molecular Formula

C30H26FNO7 (C30 H26 FNO7)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCOc(ccc(C(C1=C2Oc(ccc(F)c3)c3C1=O)N(Cc(cc1)cc3c1OCO3)C2=O)c1)c1OCC

InChI

InChI=1S/C30H26FNO7/c1-3-11-36-22-9-6-18(13-25(22)35-4-2)27-26-28(33)20-14-19(31)7-10-21(20)39-29(26)30(34)32(27)15-17-5-8-23-24(12-17)38-16-37-23/h5-10,12-14,27H,3-4,11,15-16H2,1-2H3/t27-/m1/s1

InChI Key

NEQBUJNHINXTLE-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD06643211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.200

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.10

Polar Surface Area

68.563

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 6959-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-1268
  • 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 6959-1268 available by request