8020-2905 Screening compound: 4-amino-N-(2H-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H,6H,7H-pyrano[2,3-d]pyrimidine-5-carboxamide

8020-2905 Screening compound: 4-amino-N-(2H-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H,6H,7H-pyrano[2,3-d]pyrimidine-5-carboxamide
8020-2905 Screening compound: 4-amino-N-(2H-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H,6H,7H-pyrano[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2905
4-amino-N-(2H-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H,6H,7H-pyrano[2,3-d]pyrimidine-5-carboxamide

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

8020-2905

Molecular Formula

C27H27N5O5 (C27 H27 N5 O5)

Compound Name

4-amino-N-(2H-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H,6H,7H-pyrano[2,3-d]pyrimidine-5-carboxamide

IUPAC name

4-amino-N-(2H-13-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)-7-oxo-5H6H7H-pyrano[23-d]pyrimidine-5-carboxamide

SMILES

Nc1c(C(CC(O2)=O)C(Nc(cc3)cc4c3OCO4)=O)c2nc(N2CCC(Cc3ccccc3)CC2)n1

InChI

InChI=1S/C27H27N5O5/c28-24-23-19(25(34)29-18-6-7-20-21(13-18)36-15-35-20)14-22(33)37-26(23)31-27(30-24)32-10-8-17(9-11-32)12-16-4-2-1-3-5-16/h1-7,13,17,19H,8-12,14-15H2,(H,29,34)(H2,28,30,31)/t19-/m0/s1

InChI Key

TWNRSAWMUXMJQV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD25975180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.58

Polar Surface Area

103.147

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8020-2905 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-2905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2905?
Check Price and Availability of 8020-2905, 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 8020-2905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2905
  • 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 8020-2905 available by request