C908-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde

C908-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde
C908-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0012
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde

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

C908-0012

Molecular Formula

C19H14N2O4 (C19 H14 N2 O4)

Compound Name

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-1-(2-methylphenyl)-4-oxoazetidine-2-carbaldehyde

SMILES

Cc(cccc1)c1N(C(C1N(C(c2c3cccc2)=O)C3=O)C=O)C1=O

InChI

InChI=1S/C19H14N2O4/c1-11-6-2-5-9-14(11)20-15(10-22)16(19(20)25)21-17(23)12-7-3-4-8-13(12)18(21)24/h2-10,15-16H,1H3

InChI Key

IEQQPHIRVVRAEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.62

Polar Surface Area

56.937

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.80

C908-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C908-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0012?
Check Price and Availability of C908-0012, 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 C908-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0012
  • 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 C908-0012 available by request