3389-2328 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

3389-2328 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
3389-2328 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2328
4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}-N-(1,3-thiazol-2-yl)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

3389-2328

Molecular Formula

C21H18N4O2S4 (C21 H18 N4 O2 S4)

Compound Name

4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

IUPAC name

4-{[(1Z)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}-N-(13-thiazol-2-yl)benzene-1-sulfonamide

SMILES

CC1(C)Nc(cccc2)c2C2=C1SS/C2=N\c(cc1)ccc1S(Nc1nccs1)(=O)=O

InChI

InChI=1S/C21H18N4O2S4/c1-21(2)18-17(15-5-3-4-6-16(15)24-21)19(30-29-18)23-13-7-9-14(10-8-13)31(26,27)25-20-22-11-12-28-20/h3-12,24H,1-2H3,(H,22,25)

InChI Key

XZGSVLRDJZLLAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01870975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-4.41

Polar Surface Area

70.752

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3389-2328 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 3389-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3389-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2328
  • 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 3389-2328 available by request