1889-1897 Screening compound: 3,4-dimethylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

1889-1897 Screening compound: 3,4-dimethylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
1889-1897 Screening compound: 3,4-dimethylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-1897
3,4-dimethylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

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

1889-1897

Molecular Formula

C19H17NO4 (C19 H17 NO4)

Compound Name

3,4-dimethylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

IUPAC name

34-dimethylphenyl 3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoate

SMILES

Cc(cc1)c(C)cc1OC(CCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C19H17NO4/c1-12-7-8-14(11-13(12)2)24-17(21)9-10-20-18(22)15-5-3-4-6-16(15)19(20)23/h3-8,11H,9-10H2,1-2H3

InChI Key

MDAXTXMQLVBRSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.75

Polar Surface Area

49.524

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

1889-1897 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1889-1897 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1889-1897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-1897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-1897
  • 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 1889-1897 available by request