5042-0503 Screening compound: 3-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

5042-0503 Screening compound: 3-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
5042-0503 Screening compound: 3-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0503
3-(5-amino-1,3-dioxo-2,3-dihydro-1H-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

5042-0503

Molecular Formula

C11H10N2O4 (C11 H10 N2 O4)

Compound Name

3-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

IUPAC name

3-(5-amino-13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoic acid

SMILES

Nc(cc1)cc(C(N2CCC(O)=O)=O)c1C2=O

InChI

InChI=1S/C11H10N2O4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4,12H2,(H,14,15)

InChI Key

FDACDSZVCFDGGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.476

Distribution Coefficient, logD

-3.009

Water Solubility, LogSw

-2.11

Polar Surface Area

78.931

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5042-0503 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5042-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0503?
Check Price and Availability of 5042-0503, 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 5042-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0503
  • 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 5042-0503 available by request