Y021-2709 Screening compound: 4,4,6,8-tetramethyl-1-[(E)-1-(2-thienyl)methylidene]-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one

Y021-2709 Screening compound: 4,4,6,8-tetramethyl-1-[(E)-1-(2-thienyl)methylidene]-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Y021-2709 Screening compound: 4,4,6,8-tetramethyl-1-[(E)-1-(2-thienyl)methylidene]-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2709
4,4,6,8-tetramethyl-1-[(E)-1-(2-thienyl)methylidene]-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one

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

Y021-2709

Molecular Formula

C20H19NOS (C20 H19 NOS)

Compound Name

4,4,6,8-tetramethyl-1-[(E)-1-(2-thienyl)methylidene]-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one

IUPAC name

(3E)-691111-tetramethyl-3-[(thiophen-2-yl)methylidene]-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraen-2-one

SMILES

CC(C)(C=C(C)c1cc(C)cc(/C2=C\c3cccs3)c11)N1C2=O

InChI

InChI=1S/C20H19NOS/c1-12-8-15-13(2)11-20(3,4)21-18(15)16(9-12)17(19(21)22)10-14-6-5-7-23-14/h5-11H,1-4H3

InChI Key

ULCGCQCBSRNYSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32220853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.61

Polar Surface Area

17.440

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y021-2709 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2709
  • 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 Y021-2709 available by request