1889-3619 Screening compound: ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

1889-3619 Screening compound: ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate
1889-3619 Screening compound: ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-3619
ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

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

1889-3619

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

IUPAC name

ethyl 4-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C)N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C20H18N2O5/c1-3-27-20(26)13-8-10-14(11-9-13)21-17(23)12(2)22-18(24)15-6-4-5-7-16(15)19(22)25/h4-12H,3H2,1-2H3,(H,21,23)/t12-/m0/s1

InChI Key

ASPVXBPYSIJFCR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01071781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.265

Water Solubility, LogSw

-3.55

Polar Surface Area

72.949

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1889-3619 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1889-3619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-3619?
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What is the minimum amount of 1889-3619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-3619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-3619
  • 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 1889-3619 available by request