Y020-3998 Screening compound: 2-(benzylamino)-4'-methyl-2'-(piperidin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one

Y020-3998 Screening compound: 2-(benzylamino)-4'-methyl-2'-(piperidin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one
Y020-3998 Screening compound: 2-(benzylamino)-4'-methyl-2'-(piperidin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3998
2-(benzylamino)-4'-methyl-2'-(piperidin-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

Y020-3998

Molecular Formula

C21H24N6O (C21 H24 N6 O)

Compound Name

2-(benzylamino)-4'-methyl-2'-(piperidin-1-yl)-1,6-dihydro-[4,5'-bipyrimidin]-6-one

IUPAC name

2-(benzylamino)-4'-methyl-2'-(piperidin-1-yl)-16-dihydro-[45'-bipyrimidin]-6-one

SMILES

Cc(nc(N1CCCCC1)nc1)c1C(N=C(NCc1ccccc1)N1)=CC1=O

InChI

InChI=1S/C21H24N6O/c1-15-17(14-23-21(24-15)27-10-6-3-7-11-27)18-12-19(28)26-20(25-18)22-13-16-8-4-2-5-9-16/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H2,22,25,26,28)

InChI Key

MICHBLMDTJTOEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13372618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-3.09

Polar Surface Area

67.957

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y020-3998 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3998?
Check Price and Availability of Y020-3998, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3998
  • 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 Y020-3998 available by request