4477-0697 Screening compound: 1-(2-oxo-2-{4,4,7-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)pyrrolidine-2,5-dione

4477-0697 Screening compound: 1-(2-oxo-2-{4,4,7-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)pyrrolidine-2,5-dione
4477-0697 Screening compound: 1-(2-oxo-2-{4,4,7-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0697
1-(2-oxo-2-{4,4,7-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)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

4477-0697

Molecular Formula

C19H18N2O3S3 (C19 H18 N2 O3 S3)

Compound Name

1-(2-oxo-2-{4,4,7-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)pyrrolidine-2,5-dione

IUPAC name

1-(2-oxo-2-{447-trimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}ethyl)pyrrolidine-25-dione

SMILES

CC1(C)N(C(CN(C(CC2)=O)C2=O)=O)c(cc(C)cc2)c2C2=C1SSC2=S

InChI

InChI=1S/C19H18N2O3S3/c1-10-4-5-11-12(8-10)21(15(24)9-20-13(22)6-7-14(20)23)19(2,3)17-16(11)18(25)27-26-17/h4-5,8H,6-7,9H2,1-3H3

InChI Key

QVKPVDFKKRPGJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-2.79

Polar Surface Area

44.258

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4477-0697 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4477-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0697?
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What is the minimum amount of 4477-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0697
  • 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 4477-0697 available by request