Y021-3532 Screening compound: 2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-6(2H)-yl]methyl}sulfanyl)benzoic acid

Y021-3532 Screening compound: 2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-6(2H)-yl]methyl}sulfanyl)benzoic acid
Y021-3532 Screening compound: 2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-6(2H)-yl]methyl}sulfanyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-3532
2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-6(2H)-yl]methyl}sulfanyl)benzoic acid

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

Y021-3532

Molecular Formula

C24H17FN2O4S3 (C24 H17 FN2 O4 S3)

Compound Name

2-({[8-fluoro-4,4-dimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-6(2H)-yl]methyl}sulfanyl)benzoic acid

IUPAC name

n/a

SMILES

CC(C)(C=C(CSc(cccc1)c1C(O)=O)c1cc(F)cc(/C2=C(\C(N3)=O)/SC3=S)c11)N1C2=O

InChI

InChI=1S/C24H17FN2O4S3/c1-24(2)9-11(10-33-16-6-4-3-5-13(16)22(30)31)14-7-12(25)8-15-17(21(29)27(24)18(14)15)19-20(28)26-23(32)34-19/h3-9H,10H2,1-2H3,(H,30,31)(H,26,28,32)

InChI Key

LNLGYCALTUHMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-4.30

Polar Surface Area

69.491

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y021-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-3532?
Check Price and Availability of Y021-3532, 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 Y021-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-3532
  • 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 Y021-3532 available by request