6959-0437 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0437 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0437 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-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 6959-0437
2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-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

6959-0437

Molecular Formula

C26H20FNO5 (C26 H20 FNO5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1OC(C(N(Cc(cc1)ccc1F)C1c(cc3)cc(OC)c3O)=O)=C1C2=O

InChI

InChI=1S/C26H20FNO5/c1-14-3-10-20-18(11-14)24(30)22-23(16-6-9-19(29)21(12-16)32-2)28(26(31)25(22)33-20)13-15-4-7-17(27)8-5-15/h3-12,23,29H,13H2,1-2H3/t23-/m1/s1

InChI Key

QYIFVQFPOJYERN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04447822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.45

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

3.955

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-3.70

Polar Surface Area

60.911

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-7.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

6959-0437 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6959-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0437?
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What is the minimum amount of 6959-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0437
  • 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 6959-0437 available by request