Y020-7249 Screening compound: 1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

Y020-7249 Screening compound: 1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
Y020-7249 Screening compound: 1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7249
1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

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

Y020-7249

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

IUPAC name

1388-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CC(C)(C1)CC(NC(N(C)C(N2C)=O)=C(C3c(cccc4)c4OCC=C)C2=O)=C3C1=O

InChI

InChI=1S/C24H27N3O4/c1-6-11-31-17-10-8-7-9-14(17)18-19-15(12-24(2,3)13-16(19)28)25-21-20(18)22(29)27(5)23(30)26(21)4/h6-10,18,25H,1,11-13H2,2-5H3/t18-/m1/s1

InChI Key

ZFRADEHVPXXWKF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05844051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-4.10

Polar Surface Area

62.864

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

-8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y020-7249 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y020-7249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7249?
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What is the minimum amount of Y020-7249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7249
  • 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 Y020-7249 available by request