6959-0458 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0458 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0458 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0458
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methoxyphenyl)-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

6959-0458

Molecular Formula

C27H21NO6 (C27 H21 NO6)

Compound Name

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

SMILES

Cc(cc1)cc2c1OC(C(N(Cc(cc1)cc3c1OCO3)C1c3cc(OC)ccc3)=O)=C1C2=O

InChI

InChI=1S/C27H21NO6/c1-15-6-8-20-19(10-15)25(29)23-24(17-4-3-5-18(12-17)31-2)28(27(30)26(23)34-20)13-16-7-9-21-22(11-16)33-14-32-21/h3-12,24H,13-14H2,1-2H3/t24-/m1/s1

InChI Key

UYSDLFSXCMBAIZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04447787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.52

Polar Surface Area

61.392

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 6959-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0458?
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What is the minimum amount of 6959-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0458
  • 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 6959-0458 available by request