6959-0055 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0055 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0055 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0055
2-benzyl-1-(4-hydroxyphenyl)-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

6959-0055

Molecular Formula

C24H17NO4 (C24 H17 NO4)

Compound Name

2-benzyl-1-(4-hydroxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-benzyl-1-(4-hydroxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Oc1ccc(C(C2=C3Oc(cccc4)c4C2=O)N(Cc2ccccc2)C3=O)cc1

InChI

InChI=1S/C24H17NO4/c26-17-12-10-16(11-13-17)21-20-22(27)18-8-4-5-9-19(18)29-23(20)24(28)25(21)14-15-6-2-1-3-7-15/h1-13,21,26H,14H2/t21-/m1/s1

InChI Key

VZKFPMCETILBLT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04447753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.94

Polar Surface Area

54.350

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-8.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

6959-0055 in Drug Discovery

Included in Screening Libraries

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 6959-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0055?
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What is the minimum amount of 6959-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0055
  • 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 6959-0055 available by request