3456-1861 Screening compound: (1Z)-5-(4-fluorobenzoyl)-4,4,8-trimethyl-N-phenyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

3456-1861 Screening compound: (1Z)-5-(4-fluorobenzoyl)-4,4,8-trimethyl-N-phenyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
3456-1861 Screening compound: (1Z)-5-(4-fluorobenzoyl)-4,4,8-trimethyl-N-phenyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1861
(1Z)-5-(4-fluorobenzoyl)-4,4,8-trimethyl-N-phenyl-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

3456-1861

Molecular Formula

C26H21FN2OS2 (C26 H21 FN2 OS2)

Compound Name

(1Z)-5-(4-fluorobenzoyl)-4,4,8-trimethyl-N-phenyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-5-(4-fluorobenzoyl)-448-trimethyl-N-phenyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)N(C(c(cc2)ccc2F)=O)c(ccc(C)c2)c2C2=C1SS/C2=N\c1ccccc1

InChI

InChI=1S/C26H21FN2OS2/c1-16-9-14-21-20(15-16)22-23(31-32-24(22)28-19-7-5-4-6-8-19)26(2,3)29(21)25(30)17-10-12-18(27)13-11-17/h4-15H,1-3H3

InChI Key

ZWOBCMRHOHLUMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.55

Polar Surface Area

22.177

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3456-1861 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3456-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1861?
Check Price and Availability of 3456-1861, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3456-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1861
  • 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 3456-1861 available by request