3456-1853 Screening compound: (1Z)-8-ethoxy-4,4-dimethyl-N-(2-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

3456-1853 Screening compound: (1Z)-8-ethoxy-4,4-dimethyl-N-(2-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
3456-1853 Screening compound: (1Z)-8-ethoxy-4,4-dimethyl-N-(2-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1853
(1Z)-8-ethoxy-4,4-dimethyl-N-(2-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

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

3456-1853

Molecular Formula

C23H26N2O2S2 (C23 H26 N2 O2 S2)

Compound Name

(1Z)-8-ethoxy-4,4-dimethyl-N-(2-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-8-ethoxy-44-dimethyl-N-(2-propoxyphenyl)-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CCCOc(cccc1)c1/N=C1\SSC2=C1c(cc(cc1)OCC)c1NC2(C)C

InChI

InChI=1S/C23H26N2O2S2/c1-5-13-27-19-10-8-7-9-18(19)24-22-20-16-14-15(26-6-2)11-12-17(16)25-23(3,4)21(20)28-29-22/h7-12,14,25H,5-6,13H2,1-4H3

InChI Key

AUUMJSITYQIWJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.201

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-5.67

Polar Surface Area

33.554

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

3456-1853 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 3456-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1853?
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What is the minimum amount of 3456-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1853
  • 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 3456-1853 available by request