6959-0176 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0176 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0176 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0176
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-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

6959-0176

Molecular Formula

C26H18BrNO7 (C26 H18 BrNO7)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(C2=C3Oc(cccc4)c4C2=O)N(Cc(cc2)cc4c2OCO4)C3=O)cc(Br)c1O

InChI

InChI=1S/C26H18BrNO7/c1-32-20-10-14(9-16(27)24(20)30)22-21-23(29)15-4-2-3-5-17(15)35-25(21)26(31)28(22)11-13-6-7-18-19(8-13)34-12-33-18/h2-10,22,30H,11-12H2,1H3/t22-/m1/s1

InChI Key

XQCMRKHYPGQSQH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06643046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.34

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

4.084

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.31

Polar Surface Area

76.958

Acid Dissociation Constant (pKa)

8.40

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 6959-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0176?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0176
  • 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 6959-0176 available by request