4248-0116 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

4248-0116 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
4248-0116 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0116
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

4248-0116

Molecular Formula

C24H17N3O3S (C24 H17 N3 O3 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C24H17N3O3S/c28-21(26-24-25-18-12-6-7-13-20(18)31-24)19(14-15-8-2-1-3-9-15)27-22(29)16-10-4-5-11-17(16)23(27)30/h1-13,19H,14H2,(H,25,26,28)/t19-/m0/s1

InChI Key

WUCUIPGDWUUGOQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02333500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.76

Polar Surface Area

61.269

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

4248-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4248-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0116?
Check Price and Availability of 4248-0116, 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 4248-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0116
  • 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 4248-0116 available by request