3807-5703 Screening compound: (1Z)-N-(4-ethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

3807-5703 Screening compound: (1Z)-N-(4-ethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
3807-5703 Screening compound: (1Z)-N-(4-ethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5703
(1Z)-N-(4-ethoxyphenyl)-4,4,7,8-tetramethyl-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

3807-5703

Molecular Formula

C22H24N2OS2 (C22 H24 N2 OS2)

Compound Name

(1Z)-N-(4-ethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-N-(4-ethoxyphenyl)-4478-tetramethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CCOc(cc1)ccc1/N=C1\SSC2=C1c(cc(C)c(C)c1)c1NC2(C)C

InChI

InChI=1S/C22H24N2OS2/c1-6-25-16-9-7-15(8-10-16)23-21-19-17-11-13(2)14(3)12-18(17)24-22(4,5)20(19)26-27-21/h7-12,24H,6H2,1-5H3

InChI Key

UQFUWOZHQXXVSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.56

Polar Surface Area

26.748

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3807-5703 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 3807-5703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5703?
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What is the minimum amount of 3807-5703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5703
  • 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 3807-5703 available by request