4477-1640 Screening compound: 4-{[(1E)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

4477-1640 Screening compound: 4-{[(1E)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide
4477-1640 Screening compound: 4-{[(1E)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1640
4-{[(1E)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

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

4477-1640

Molecular Formula

C19H19N3O2S3 (C19 H19 N3 O2 S3)

Compound Name

4-{[(1E)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

IUPAC name

4-{[(1E)-448-trimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

SMILES

CC1(C)Nc(ccc(C)c2)c2C2=C1SS/C2=N/c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C19H19N3O2S3/c1-11-4-9-15-14(10-11)16-17(19(2,3)22-15)25-26-18(16)21-12-5-7-13(8-6-12)27(20,23)24/h4-10,22H,1-3H3,(H2,20,23,24)

InChI Key

FUYPRRQLFGKGAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.94

Polar Surface Area

70.227

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4477-1640 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4477-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1640?
Check Price and Availability of 4477-1640, 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 4477-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1640
  • 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 4477-1640 available by request