4157-0518 Screening compound: (1Z)-N-(2,4-dimethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

4157-0518 Screening compound: (1Z)-N-(2,4-dimethoxyphenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
4157-0518 Screening compound: (1Z)-N-(2,4-dimethoxyphenyl)-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 4157-0518
(1Z)-N-(2,4-dimethoxyphenyl)-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

4157-0518

Molecular Formula

C22H24N2O2S2 (C22 H24 N2 O2 S2)

Compound Name

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

IUPAC name

(1Z)-N-(24-dimethoxyphenyl)-4478-tetramethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(cc(C)c(C)c2)c2C2=C1SS/C2=N\c(ccc(OC)c1)c1OC

InChI

InChI=1S/C22H24N2O2S2/c1-12-9-15-17(10-13(12)2)24-22(3,4)20-19(15)21(28-27-20)23-16-8-7-14(25-5)11-18(16)26-6/h7-11,24H,1-6H3

InChI Key

RQPYPFJWDUXGMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.443

Distribution Coefficient, logD

5.442

Water Solubility, LogSw

-5.58

Polar Surface Area

34.101

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4157-0518 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 4157-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0518?
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What is the minimum amount of 4157-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0518
  • 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 4157-0518 available by request