6959-0116 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0116 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0116 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0116
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-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

6959-0116

Molecular Formula

C28H23NO8 (C28 H23 NO8)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-1-(345-trimethoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc1cc(C(C2=C3Oc(cccc4)c4C2=O)N(Cc(cc2)cc4c2OCO4)C3=O)cc(OC)c1OC

InChI

InChI=1S/C28H23NO8/c1-32-21-11-16(12-22(33-2)26(21)34-3)24-23-25(30)17-6-4-5-7-18(17)37-27(23)28(31)29(24)13-15-8-9-19-20(10-15)36-14-35-19/h4-12,24H,13-14H2,1-3H3/t24-/m1/s1

InChI Key

VZNWNWOFGMNDME-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05992159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.14

Polar Surface Area

76.826

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 6959-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0116?
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What is the minimum amount of 6959-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0116
  • 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 6959-0116 available by request