Y020-4053 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one

Y020-4053 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one
Y020-4053 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4053
2-(2,3-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-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

Y020-4053

Molecular Formula

C22H25N7O (C22 H25 N7 O)

Compound Name

2-(2,3-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one

IUPAC name

2-(23-dihydro-1H-indol-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-16-dihydro-[45'-bipyrimidin]-6-one

SMILES

Cc(nc(N1CCN(C)CC1)nc1)c1C(N=C(N1)N(CC2)c3c2cccc3)=CC1=O

InChI

InChI=1S/C22H25N7O/c1-15-17(14-23-21(24-15)28-11-9-27(2)10-12-28)18-13-20(30)26-22(25-18)29-8-7-16-5-3-4-6-19(16)29/h3-6,13-14H,7-12H2,1-2H3,(H,25,26,30)

InChI Key

HTAQBLDJKWXADS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.67

Polar Surface Area

62.542

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

Y020-4053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-4053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4053?
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What is the minimum amount of Y020-4053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4053
  • 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 Y020-4053 available by request