8019-7648 Screening compound: 3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

8019-7648 Screening compound: 3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
8019-7648 Screening compound: 3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7648
3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

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

8019-7648

Molecular Formula

C19H16N2O3 (C19 H16 N2 O3)

Compound Name

3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

IUPAC name

3-(1H-indol-3-yl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanoic acid

SMILES

OC(C(Cc1c[nH]c2c1cccc2)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)/t17-/m0/s1

InChI Key

UCIVYNVXNNEYDV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04124608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

-1.343

Water Solubility, LogSw

-2.91

Polar Surface Area

54.255

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

8019-7648 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-7648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7648?
Check Price and Availability of 8019-7648, 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 8019-7648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7648
  • 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 8019-7648 available by request