8010-3526 Screening compound: N-(4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide

8010-3526 Screening compound: N-(4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide
8010-3526 Screening compound: N-(4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3526
N-(4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide

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

8010-3526

Molecular Formula

C20H19N3O3S3 (C20 H19 N3 O3 S3)

Compound Name

N-(4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide

IUPAC name

N-(4-{[(1Z)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}benzenesulfonyl)acetamide

SMILES

CC1(C)Nc(cccc2)c2C2=C1SS/C2=N\c(cc1)ccc1S(NC(C)=O)(=O)=O

InChI

InChI=1S/C20H19N3O3S3/c1-12(24)23-29(25,26)14-10-8-13(9-11-14)21-19-17-15-6-4-5-7-16(15)22-20(2,3)18(17)27-28-19/h4-11,22H,1-3H3,(H,23,24)

InChI Key

YYDLGLZVZGLEBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

-0.276

Water Solubility, LogSw

-3.72

Polar Surface Area

74.623

Acid Dissociation Constant (pKa)

4.25

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-3526 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8010-3526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3526?
Check Price and Availability of 8010-3526, 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 8010-3526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3526
  • 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 8010-3526 available by request