4477-1884 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

4477-1884 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
4477-1884 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1884
1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]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

4477-1884

Molecular Formula

C20H17ClN2O3S2 (C20 H17 ClN2 O3 S2)

Compound Name

1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]pyrrolidine-25-dione

SMILES

CCOc(cc1)cc2c1nc(SC(CC(N1c3cccc(Cl)c3C)=O)C1=O)s2

InChI

InChI=1S/C20H17ClN2O3S2/c1-3-26-12-7-8-14-16(9-12)27-20(22-14)28-17-10-18(24)23(19(17)25)15-6-4-5-13(21)11(15)2/h4-9,17H,3,10H2,1-2H3/t17-/m1/s1

InChI Key

KYDZOPNARDTNCJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02732139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-5.10

Polar Surface Area

45.062

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4477-1884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1884?
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What is the minimum amount of 4477-1884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1884
  • 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 4477-1884 available by request