6959-0098 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0098 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0098 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0098
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-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

6959-0098

Molecular Formula

C26H19NO7 (C26 H19 NO7)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc(cc(C(C1=C2Oc(cccc3)c3C1=O)N(Cc(cc1)cc3c1OCO3)C2=O)cc1)c1O

InChI

InChI=1S/C26H19NO7/c1-31-20-11-15(7-8-17(20)28)23-22-24(29)16-4-2-3-5-18(16)34-25(22)26(30)27(23)12-14-6-9-19-21(10-14)33-13-32-19/h2-11,23,28H,12-13H2,1H3/t23-/m1/s1

InChI Key

CENOOYKENBDTSJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06643047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.56

Polar Surface Area

78.027

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 6959-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0098?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0098
  • 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 6959-0098 available by request