3966-3101 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione

3966-3101 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
3966-3101 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3101
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione

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

3966-3101

Molecular Formula

C17H10Cl2N2O2S2 (C17 H10 Cl2 N2 O2 S2)

Compound Name

3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione

IUPAC name

3-(13-benzothiazol-2-ylsulfanyl)-1-(24-dichlorophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2nc(cccc3)c3s2)N1c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C17H10Cl2N2O2S2/c18-9-5-6-12(10(19)7-9)21-15(22)8-14(16(21)23)25-17-20-11-3-1-2-4-13(11)24-17/h1-7,14H,8H2/t14-/m1/s1

InChI Key

PJOXULQBGFAZOV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02241323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.90

Polar Surface Area

37.938

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

3966-3101 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 3966-3101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3101?
Check Price and Availability of 3966-3101, 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 3966-3101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3101
  • 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 3966-3101 available by request