Y021-3463 Screening compound: ethyl 2-{5-[8-fluoro-4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2,4-dioxo-1,3-thiazolan-3-yl}acetate

Y021-3463 Screening compound: ethyl 2-{5-[8-fluoro-4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2,4-dioxo-1,3-thiazolan-3-yl}acetate
Y021-3463 Screening compound: ethyl 2-{5-[8-fluoro-4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2,4-dioxo-1,3-thiazolan-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-3463
ethyl 2-{5-[8-fluoro-4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2,4-dioxo-1,3-thiazolan-3-yl}acetate

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

Y021-3463

Molecular Formula

C27H25FN2O5S (C27 H25 FN2 O5 S)

Compound Name

ethyl 2-{5-[8-fluoro-4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-2,4-dioxo-1,3-thiazolan-3-yl}acetate

IUPAC name

n/a

SMILES

CCOC(CN(C(/C(/S1)=C(\c2c3N4C(C)(C)CC(C)(c5ccccc5)c3cc(F)c2)/C4=O)=O)C1=O)=O

InChI

InChI=1S/C27H25FN2O5S/c1-5-35-19(31)13-29-24(33)22(36-25(29)34)20-17-11-16(28)12-18-21(17)30(23(20)32)26(2,3)14-27(18,4)15-9-7-6-8-10-15/h6-12H,5,13-14H2,1-4H3/t27-/m0/s1

InChI Key

VXWYDZWNLTXUEI-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.59

Polar Surface Area

66.209

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y021-3463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-3463?
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What is the minimum amount of Y021-3463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-3463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-3463
  • 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 Y021-3463 available by request