6959-0440 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0440 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0440 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0440
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-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

6959-0440

Molecular Formula

C28H23NO7 (C28 H23 NO7)

Compound Name

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

SMILES

CCOc(cc(C(C1=C2Oc(ccc(C)c3)c3C1=O)N(Cc(cc1)cc3c1OCO3)C2=O)cc1)c1O

InChI

InChI=1S/C28H23NO7/c1-3-33-22-12-17(6-7-19(22)30)25-24-26(31)18-10-15(2)4-8-20(18)36-27(24)28(32)29(25)13-16-5-9-21-23(11-16)35-14-34-21/h4-12,25,30H,3,13-14H2,1-2H3/t25-/m1/s1

InChI Key

DPAJKLXHOMNYRJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06643066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-3.95

Polar Surface Area

77.607

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 6959-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0440?
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What is the minimum amount of 6959-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0440
  • 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 6959-0440 available by request