3807-4567 Screening compound: 2-(2-oxo-2-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-1,3-dione

3807-4567 Screening compound: 2-(2-oxo-2-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-1,3-dione
3807-4567 Screening compound: 2-(2-oxo-2-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4567
2-(2-oxo-2-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-1,3-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

3807-4567

Molecular Formula

C23H24N2O3S3 (C23 H24 N2 O3 S3)

Compound Name

2-(2-oxo-2-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-oxo-2-{448-trimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}ethyl)-octahydro-1H-isoindole-13-dione

SMILES

CC1(C)N(C(CN(C(C2C3CCCC2)=O)C3=O)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C23H24N2O3S3/c1-12-8-9-16-15(10-12)18-19(30-31-22(18)29)23(2,3)25(16)17(26)11-24-20(27)13-6-4-5-7-14(13)21(24)28/h8-10,13-14H,4-7,11H2,1-3H3

InChI Key

OWOKQWCWRGTRSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.65

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

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.87

Polar Surface Area

43.624

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

3807-4567 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 3807-4567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4567?
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What is the minimum amount of 3807-4567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4567
  • 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 3807-4567 available by request