3785-0325 Screening compound: 4,4,7,8-tetramethyl-5-(3-nitrobenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

3785-0325 Screening compound: 4,4,7,8-tetramethyl-5-(3-nitrobenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
3785-0325 Screening compound: 4,4,7,8-tetramethyl-5-(3-nitrobenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0325
4,4,7,8-tetramethyl-5-(3-nitrobenzoyl)-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

3785-0325

Molecular Formula

C21H18N2O3S3 (C21 H18 N2 O3 S3)

Compound Name

4,4,7,8-tetramethyl-5-(3-nitrobenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

4478-tetramethyl-5-(3-nitrobenzoyl)-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c2cc([N+]([O-])=O)ccc2)=O)c(cc(C)c(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C21H18N2O3S3/c1-11-8-15-16(9-12(11)2)22(21(3,4)18-17(15)20(27)29-28-18)19(24)13-6-5-7-14(10-13)23(25)26/h5-10H,1-4H3

InChI Key

YJQGBTQMEUJSHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.381

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.57

Polar Surface Area

47.816

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3785-0325 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 3785-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0325?
Check Price and Availability of 3785-0325, 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 3785-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0325
  • 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 3785-0325 available by request