4060-0085 Screening compound: ethyl 4-{[(1Z)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate

4060-0085 Screening compound: ethyl 4-{[(1Z)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate
4060-0085 Screening compound: ethyl 4-{[(1Z)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4060-0085
ethyl 4-{[(1Z)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate

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

4060-0085

Molecular Formula

C23H24N2O2S2 (C23 H24 N2 O2 S2)

Compound Name

ethyl 4-{[(1Z)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate

IUPAC name

ethyl 4-{[(1Z)-4478-tetramethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}benzoate

SMILES

CCOC(c(cc1)ccc1/N=C1\SSC2=C1c(cc(C)c(C)c1)c1NC2(C)C)=O

InChI

InChI=1S/C23H24N2O2S2/c1-6-27-22(26)15-7-9-16(10-8-15)24-21-19-17-11-13(2)14(3)12-18(17)25-23(4,5)20(19)28-29-21/h7-12,25H,6H2,1-5H3

InChI Key

DTRAPQHLFIKJGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02244606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-5.50

Polar Surface Area

40.378

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

4060-0085 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 4060-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4060-0085?
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What is the minimum amount of 4060-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4060-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4060-0085
  • 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 4060-0085 available by request