6959-1113 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-1113 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-1113 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-1113
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)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

6959-1113

Molecular Formula

C27H22FNO5 (C27 H22 FNO5)

Compound Name

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

IUPAC name

1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc(cc(C(C1=C2Oc(ccc(F)c3)c3C1=O)N(Cc1ccc(C)cc1)C2=O)cc1)c1O

InChI

InChI=1S/C27H22FNO5/c1-3-33-22-12-17(8-10-20(22)30)24-23-25(31)19-13-18(28)9-11-21(19)34-26(23)27(32)29(24)14-16-6-4-15(2)5-7-16/h4-13,24,30H,3,14H2,1-2H3/t24-/m1/s1

InChI Key

BUWRCVGRZYNKBC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04448148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.19

Polar Surface Area

60.491

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

6959-1113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6959-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-1113?
Check Price and Availability of 6959-1113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6959-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-1113
  • 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 6959-1113 available by request