3535-0321 Screening compound: (1Z)-N-(2-methoxy-4-nitrophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

3535-0321 Screening compound: (1Z)-N-(2-methoxy-4-nitrophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
3535-0321 Screening compound: (1Z)-N-(2-methoxy-4-nitrophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0321
(1Z)-N-(2-methoxy-4-nitrophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

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

3535-0321

Molecular Formula

C21H21N3O3S2 (C21 H21 N3 O3 S2)

Compound Name

(1Z)-N-(2-methoxy-4-nitrophenyl)-4,4,7,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-N-(2-methoxy-4-nitrophenyl)-4478-tetramethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(cc(C)c(C)c2)c2C2=C1SS/C2=N\c(ccc([N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C21H21N3O3S2/c1-11-8-14-16(9-12(11)2)23-21(3,4)19-18(14)20(29-28-19)22-15-7-6-13(24(25)26)10-17(15)27-5/h6-10,23H,1-5H3

InChI Key

DSKSXACITUTATN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.56

Polar Surface Area

59.938

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3535-0321 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 3535-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0321?
Check Price and Availability of 3535-0321, 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 3535-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0321
  • 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 3535-0321 available by request