8019-4495 Screening compound: 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic acid

8019-4495 Screening compound: 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic acid
8019-4495 Screening compound: 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4495
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic 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

8019-4495

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic acid

IUPAC name

1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxylic acid

SMILES

Nc(cc1)ccc1N(CC(C1)C(O)=O)C1=O

InChI

InChI=1S/C11H12N2O3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6,12H2,(H,15,16)/t7-/m1/s1

InChI Key

QRSAYPXWBFJXBT-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD01908479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.626

Distribution Coefficient, logD

-2.986

Water Solubility, LogSw

-1.35

Polar Surface Area

66.202

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8019-4495 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-4495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4495?
Check Price and Availability of 8019-4495, 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 8019-4495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4495
  • 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 8019-4495 available by request