3389-2781 Screening compound: 6-methoxy-5-(3-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

3389-2781 Screening compound: 6-methoxy-5-(3-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
3389-2781 Screening compound: 6-methoxy-5-(3-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2781
6-methoxy-5-(3-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

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

3389-2781

Molecular Formula

C21H19NO3S3 (C21 H19 NO3 S3)

Compound Name

6-methoxy-5-(3-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

6-methoxy-5-(3-methoxybenzoyl)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c2cc(OC)ccc2)=O)c(c(OC)ccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C21H19NO3S3/c1-21(2)18-16(20(26)28-27-18)14-9-6-10-15(25-4)17(14)22(21)19(23)12-7-5-8-13(11-12)24-3/h5-11H,1-4H3

InChI Key

LTCBDBVKUJNELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01085101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.65

Polar Surface Area

30.766

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3389-2781 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2781?
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What is the minimum amount of 3389-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2781
  • 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 3389-2781 available by request