6959-0391 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0391 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0391 Screening compound: 2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0391
2-benzyl-1-(4-hydroxyphenyl)-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

6959-0391

Molecular Formula

C25H19NO4 (C25 H19 NO4)

Compound Name

2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1)cc2c1OC(C(N(Cc1ccccc1)C1c(cc3)ccc3O)=O)=C1C2=O

InChI

InChI=1S/C25H19NO4/c1-15-7-12-20-19(13-15)23(28)21-22(17-8-10-18(27)11-9-17)26(25(29)24(21)30-20)14-16-5-3-2-4-6-16/h2-13,22,27H,14H2,1H3/t22-/m1/s1

InChI Key

OIVGJMZZAVHJSY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04448177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

4.060

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.22

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

12.00

6959-0391 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 6959-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0391?
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What is the minimum amount of 6959-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0391
  • 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 6959-0391 available by request