4248-0106 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}butanamide

4248-0106 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}butanamide
4248-0106 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0106
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}butanamide

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

4248-0106

Molecular Formula

C21H18N4O5S2 (C21 H18 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c1c2cccc1)=O)C2=O)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O

InChI

InChI=1S/C21H18N4O5S2/c26-18(6-3-12-25-19(27)16-4-1-2-5-17(16)20(25)28)23-14-7-9-15(10-8-14)32(29,30)24-21-22-11-13-31-21/h1-2,4-5,7-11,13H,3,6,12H2,(H,22,24)(H,23,26)

InChI Key

LOFQNJUFPNXSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-2.66

Polar Surface Area

103.747

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4248-0106 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4248-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0106?
Check Price and Availability of 4248-0106, 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 4248-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0106
  • 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 4248-0106 available by request