Y020-5498 Screening compound: (1Z)-N-(4-bromophenyl)-4,4,6,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

Y020-5498 Screening compound: (1Z)-N-(4-bromophenyl)-4,4,6,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Y020-5498 Screening compound: (1Z)-N-(4-bromophenyl)-4,4,6,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5498
(1Z)-N-(4-bromophenyl)-4,4,6,8-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

Y020-5498

Molecular Formula

C20H19BrN2S2 (C20 H19 BrN2 S2)

Compound Name

(1Z)-N-(4-bromophenyl)-4,4,6,8-tetramethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-N-(4-bromophenyl)-4468-tetramethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(c(C)cc(C)c2)c2C2=C1SS/C2=N\c(cc1)ccc1Br

InChI

InChI=1S/C20H19BrN2S2/c1-11-9-12(2)17-15(10-11)16-18(20(3,4)23-17)24-25-19(16)22-14-7-5-13(21)6-8-14/h5-10,23H,1-4H3

InChI Key

VDDBLILCBYBBLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03299052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

5.824

Water Solubility, LogSw

-5.79

Polar Surface Area

17.372

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-5498 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-5498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5498?
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What is the minimum amount of Y020-5498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5498
  • 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 Y020-5498 available by request