S553-0263 Screening compound: 1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

S553-0263 Screening compound: 1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
S553-0263 Screening compound: 1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0263
1-(5-chloro-2-methoxyphenyl)-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

S553-0263

Molecular Formula

C12H12ClNO4 (C12 H12 ClNO4)

Compound Name

1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

IUPAC name

1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

SMILES

COc(ccc(Cl)c1)c1N(CC(C1)C(O)=O)C1=O

InChI

InChI=1S/C12H12ClNO4/c1-18-10-3-2-8(13)5-9(10)14-6-7(12(16)17)4-11(14)15/h2-3,5,7H,4,6H2,1H3,(H,16,17)/t7-/m1/s1

InChI Key

QLLPDFKYJGBZCA-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD04989732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.889

Distribution Coefficient, logD

-1.471

Water Solubility, LogSw

-2.13

Polar Surface Area

52.726

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S553-0263 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with S553-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0263?
Check Price and Availability of S553-0263, 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 S553-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0263
  • 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 S553-0263 available by request