Y020-5022 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate

Y020-5022 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate
Y020-5022 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5022
1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-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

Y020-5022

Molecular Formula

C25H21N3O4 (C25 H21 N3 O4)

Compound Name

1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate

IUPAC name

57-dimethyl-2-(4-methylphenyl)-46-dioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)9111315-hexaen-17-yl acetate

SMILES

CC(OC(c1c2cccc1)=C(C1c3ccc(C)cc3)C2=NC(N(C)C(N2C)=O)=C1C2=O)=O

InChI

InChI=1S/C25H21N3O4/c1-13-9-11-15(12-10-13)18-19-21(16-7-5-6-8-17(16)22(19)32-14(2)29)26-23-20(18)24(30)28(4)25(31)27(23)3/h5-12,18H,1-4H3/t18-/m0/s1

InChI Key

QITGOSMFNUNSDP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01795914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.76

Polar Surface Area

59.663

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y020-5022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5022?
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What is the minimum amount of Y020-5022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5022
  • 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 Y020-5022 available by request