4477-1890 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

4477-1890 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
4477-1890 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1890
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methoxyphenyl)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

4477-1890

Molecular Formula

C18H14N2O3S2 (C18 H14 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(C(CC2Sc3nc(cccc4)c4s3)=O)C2=O)c1

InChI

InChI=1S/C18H14N2O3S2/c1-23-12-6-4-5-11(9-12)20-16(21)10-15(17(20)22)25-18-19-13-7-2-3-8-14(13)24-18/h2-9,15H,10H2,1H3/t15-/m0/s1

InChI Key

FTKVFJXXDLBEFG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01955814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.88

Polar Surface Area

45.783

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4477-1890 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4477-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1890?
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What is the minimum amount of 4477-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1890
  • 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 4477-1890 available by request