4477-1891 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

4477-1891 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
4477-1891 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1891
1-(3,4-dimethoxyphenyl)-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

4477-1891

Molecular Formula

C21H20N2O5S2 (C21 H20 N2 O5 S2)

Compound Name

1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

IUPAC name

1-(34-dimethoxyphenyl)-3-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]pyrrolidine-25-dione

SMILES

CCOc(cc1)cc2c1nc(SC(CC(N1c(cc3)cc(OC)c3OC)=O)C1=O)s2

InChI

InChI=1S/C21H20N2O5S2/c1-4-28-13-6-7-14-17(10-13)29-21(22-14)30-18-11-19(24)23(20(18)25)12-5-8-15(26-2)16(9-12)27-3/h5-10,18H,4,11H2,1-3H3/t18-/m0/s1

InChI Key

JDZALISVOYWRML-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02732144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.71

Polar Surface Area

60.623

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4477-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1891?
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What is the minimum amount of 4477-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1891
  • 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 4477-1891 available by request