8014-0090 Screening compound: 1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid

8014-0090 Screening compound: 1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
8014-0090 Screening compound: 1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0090
1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic 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

8014-0090

Molecular Formula

C12H12ClNO4 (C12 H12 ClNO4)

Compound Name

1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid

IUPAC name

1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

SMILES

COc(ccc(N(CC(C1)C(O)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C12H12ClNO4/c1-18-10-3-2-8(5-9(10)13)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

ZCPWASRXJNDMDW-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD03044701

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

0.818

Distribution Coefficient, logD

-1.543

Water Solubility, LogSw

-2.27

Polar Surface Area

53.027

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8014-0090 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 8014-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0090?
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What is the minimum amount of 8014-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0090
  • 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 8014-0090 available by request