3966-3025 Screening compound: N1,N1-diethyl-N4-[(1Z)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]benzene-1,4-diamine

3966-3025 Screening compound: N1,N1-diethyl-N4-[(1Z)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]benzene-1,4-diamine
3966-3025 Screening compound: N1,N1-diethyl-N4-[(1Z)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3025
N1,N1-diethyl-N4-[(1Z)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]benzene-1,4-diamine

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

3966-3025

Molecular Formula

C23H27N3OS2 (C23 H27 N3 OS2)

Compound Name

N1,N1-diethyl-N4-[(1Z)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]benzene-1,4-diamine

IUPAC name

N1N1-diethyl-N4-[(1Z)-8-methoxy-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]benzene-14-diamine

SMILES

CCN(CC)c(cc1)ccc1/N=C1\SSC2=C1c(cc(cc1)OC)c1NC2(C)C

InChI

InChI=1S/C23H27N3OS2/c1-6-26(7-2)16-10-8-15(9-11-16)24-22-20-18-14-17(27-5)12-13-19(18)25-23(3,4)21(20)28-29-22/h8-14,25H,6-7H2,1-5H3

InChI Key

VOFULSJWBKORRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02238016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.580

Water Solubility, LogSw

-5.55

Polar Surface Area

29.904

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

3966-3025 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 3966-3025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3025?
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What is the minimum amount of 3966-3025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3025
  • 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 3966-3025 available by request