2201-0242 Screening compound: 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

2201-0242 Screening compound: 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2201-0242 Screening compound: 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2201-0242
2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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

2201-0242

Molecular Formula

C16H8ClNO6 (C16 H8 ClNO6)

Compound Name

2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-(4-carboxy-3-chlorophenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2c(cc3)cc(Cl)c3C(O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C16H8ClNO6/c17-12-6-8(2-4-10(12)16(23)24)18-13(19)9-3-1-7(15(21)22)5-11(9)14(18)20/h1-6H,(H,21,22)(H,23,24)

InChI Key

SWBIPVMOYZVEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

-0.940

Water Solubility, LogSw

-3.50

Polar Surface Area

85.696

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-10.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2201-0242 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2201-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2201-0242?
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What is the minimum amount of 2201-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2201-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2201-0242
  • 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 2201-0242 available by request