Y020-7003 Screening compound: 4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxotetrahydro-4H-imidazol-4-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl 1-naphthoate

Y020-7003 Screening compound: 4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxotetrahydro-4H-imidazol-4-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl 1-naphthoate
Y020-7003 Screening compound: 4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxotetrahydro-4H-imidazol-4-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl 1-naphthoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7003
4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxotetrahydro-4H-imidazol-4-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl 1-naphthoate

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

Y020-7003

Molecular Formula

C28H21N3O4S (C28 H21 N3 O4 S)

Compound Name

4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxotetrahydro-4H-imidazol-4-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl 1-naphthoate

IUPAC name

91111-trimethyl-2-oxo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-6-yl naphthalene-1-carboxylate

SMILES

CC(C)(C=C(C)c1cc(OC(c2cccc3ccccc23)=O)cc(/C2=C(\C(N3)=O)/NC3=S)c11)N1C2=O

InChI

InChI=1S/C28H21N3O4S/c1-14-13-28(2,3)31-23-19(14)11-16(12-20(23)21(25(31)33)22-24(32)30-27(36)29-22)35-26(34)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,1-3H3,(H2,29,30,32,36)

InChI Key

DGIQGLKUOJOTAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04177596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.47

Polar Surface Area

73.275

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y020-7003 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y020-7003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7003?
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What is the minimum amount of Y020-7003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7003
  • 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 Y020-7003 available by request