Y020-6876 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

Y020-6876 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate
Y020-6876 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6876
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

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

Y020-6876

Molecular Formula

C25H23NO6 (C25 H23 NO6)

Compound Name

4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

IUPAC name

91111-trimethyl-23-dioxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-6-yl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

CC(C)(C=C(C)c1cc(OC(/C=C/c(cc2)cc(OC)c2OC)=O)cc(C2=O)c11)N1C2=O

InChI

InChI=1S/C25H23NO6/c1-14-13-25(2,3)26-22-17(14)11-16(12-18(22)23(28)24(26)29)32-21(27)9-7-15-6-8-19(30-4)20(10-15)31-5/h6-13H,1-5H3

InChI Key

NTRLNTXFAYJAQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.31

Polar Surface Area

64.883

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y020-6876 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6876?
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What is the minimum amount of Y020-6876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6876
  • 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 Y020-6876 available by request