6959-1441 Screening compound: 2-benzyl-7-bromo-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-1441 Screening compound: 2-benzyl-7-bromo-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-1441 Screening compound: 2-benzyl-7-bromo-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 6959-1441
2-benzyl-7-bromo-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

6959-1441

Molecular Formula

C25H18BrNO5 (C25 H18 BrNO5)

Compound Name

2-benzyl-7-bromo-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-benzyl-7-bromo-1-(4-hydroxy-3-methoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc(cc(C(C1=C2Oc(ccc(Br)c3)c3C1=O)N(Cc1ccccc1)C2=O)cc1)c1O

InChI

InChI=1S/C25H18BrNO5/c1-31-20-11-15(7-9-18(20)28)22-21-23(29)17-12-16(26)8-10-19(17)32-24(21)25(30)27(22)13-14-5-3-2-4-6-14/h2-12,22,28H,13H2,1H3/t22-/m1/s1

InChI Key

JLOUNPGXYRUUMF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04448261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.14

Polar Surface Area

60.911

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-6.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 6959-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-1441?
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What is the minimum amount of 6959-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-1441
  • 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 6959-1441 available by request