6872-1942 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-1942 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-1942 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-1942
1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-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

6872-1942

Molecular Formula

C22H20FNO5 (C22 H20 FNO5)

Compound Name

1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc1cccc(C(C2=C3Oc(ccc(F)c4)c4C2=O)N(CCOC)C3=O)c1

InChI

InChI=1S/C22H20FNO5/c1-3-28-15-6-4-5-13(11-15)19-18-20(25)16-12-14(23)7-8-17(16)29-21(18)22(26)24(19)9-10-27-2/h4-8,11-12,19H,3,9-10H2,1-2H3/t19-/m1/s1

InChI Key

SDRWWOMDBWAQEK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06651390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.73

Polar Surface Area

52.449

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

6872-1942 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6872-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-1942?
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What is the minimum amount of 6872-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-1942
  • 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 6872-1942 available by request