2712-4097 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoate

2712-4097 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoate
2712-4097 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4097
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoate

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

2712-4097

Molecular Formula

C26H23NO6 (C26 H23 NO6)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanoate

SMILES

CC(C)CC(C(Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C26H23NO6/c1-14(2)12-21(27-23(28)18-6-3-4-7-19(18)24(27)29)26(31)32-15-10-11-17-16-8-5-9-20(16)25(30)33-22(17)13-15/h3-4,6-7,10-11,13-14,21H,5,8-9,12H2,1-2H3/t21-/m0/s1

InChI Key

JMDJNNYNLMQMOD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01911638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.62

Polar Surface Area

70.274

Acid Dissociation Constant (pKa)

19.89

Base Dissociation Constant (pKb)

-9.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

2712-4097 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)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-4097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4097?
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What is the minimum amount of 2712-4097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4097
  • 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 2712-4097 available by request