3807-4822 Screening compound: (1Z)-N-(4-chlorophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

3807-4822 Screening compound: (1Z)-N-(4-chlorophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
3807-4822 Screening compound: (1Z)-N-(4-chlorophenyl)-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 3807-4822
(1Z)-N-(4-chlorophenyl)-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

3807-4822

Molecular Formula

C20H19ClN2S2 (C20 H19 ClN2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)Nc(cc(C)c(C)c2)c2C2=C1SS/C2=N\c(cc1)ccc1Cl

InChI

InChI=1S/C20H19ClN2S2/c1-11-9-15-16(10-12(11)2)23-20(3,4)18-17(15)19(25-24-18)22-14-7-5-13(21)6-8-14/h5-10,23H,1-4H3

InChI Key

KBYCKJQJVJUHRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.907

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-6.31

Polar Surface Area

19.624

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3807-4822 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 3807-4822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4822?
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What is the minimum amount of 3807-4822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4822
  • 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 3807-4822 available by request