3807-5421 Screening compound: 4-{[(1Z)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

3807-5421 Screening compound: 4-{[(1Z)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide
3807-5421 Screening compound: 4-{[(1Z)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5421
4-{[(1Z)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}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

3807-5421

Molecular Formula

C19H19N3O2S3 (C19 H19 N3 O2 S3)

Compound Name

4-{[(1Z)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

IUPAC name

4-{[(1Z)-447-trimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

SMILES

CC1(C)Nc(cc(C)cc2)c2C2=C1SS/C2=N\c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C19H19N3O2S3/c1-11-4-9-14-15(10-11)22-19(2,3)17-16(14)18(26-25-17)21-12-5-7-13(8-6-12)27(20,23)24/h4-10,22H,1-3H3,(H2,20,23,24)

InChI Key

CTBIVDUTDOTNLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.52

Polar Surface Area

70.227

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3807-5421 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-5421 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5421
  • 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 3807-5421 available by request