6186-3086 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}propanamide

6186-3086 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}propanamide
6186-3086 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3086
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}propanamide

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

6186-3086

Molecular Formula

C20H16N4O5S2 (C20 H16 N4 O5 S2)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}propanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}propanamide

SMILES

CC(C(Nc(cc1)ccc1S(Nc1nccs1)(=O)=O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C20H16N4O5S2/c1-12(24-18(26)15-4-2-3-5-16(15)19(24)27)17(25)22-13-6-8-14(9-7-13)31(28,29)23-20-21-10-11-30-20/h2-12H,1H3,(H,21,23)(H,22,25)/t12-/m0/s1

InChI Key

JCTDAGZZJXJRLD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03298582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-3.09

Polar Surface Area

103.323

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

6186-3086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6186-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3086?
Check Price and Availability of 6186-3086, 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 6186-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3086
  • 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 6186-3086 available by request