2053-0090 Screening compound: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-chloro-3-(morpholinosulfonyl)benzoate

2053-0090 Screening compound: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-chloro-3-(morpholinosulfonyl)benzoate
2053-0090 Screening compound: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-chloro-3-(morpholinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0090
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-chloro-3-(morpholinosulfonyl)benzoate

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

2053-0090

Molecular Formula

C25H19ClN2O7S (C25 H19 ClN2 O7 S)

Compound Name

3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-chloro-3-(morpholinosulfonyl)benzoate

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl 4-chloro-3-(morpholine-4-sulfonyl)benzoate

SMILES

O=C(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Cl)Oc1cc(N(C(c2c3cccc2)=O)C3=O)ccc1

InChI

InChI=1S/C25H19ClN2O7S/c26-21-9-8-16(14-22(21)36(32,33)27-10-12-34-13-11-27)25(31)35-18-5-3-4-17(15-18)28-23(29)19-6-1-2-7-20(19)24(28)30/h1-9,14-15H,10-13H2

InChI Key

PHYABRXWIITFIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.95

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.97

Polar Surface Area

88.877

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 2053-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0090?
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What is the minimum amount of 2053-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0090
  • 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 2053-0090 available by request