T817-0020 Screening compound: 8-[2-(1-CYCLOHEXENYL)ETHYL]-4-METHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-7(6H)-ONE

T817-0020 Screening compound: 8-[2-(1-CYCLOHEXENYL)ETHYL]-4-METHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-7(6H)-ONE
T817-0020 Screening compound: 8-[2-(1-CYCLOHEXENYL)ETHYL]-4-METHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-7(6H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T817-0020
8-[2-(1-CYCLOHEXENYL)ETHYL]-4-METHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-7(6H)-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

T817-0020

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

8-[2-(1-CYCLOHEXENYL)ETHYL]-4-METHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-7(6H)-ONE

IUPAC name

n/a

SMILES

Cc1c(CCC(N2CCC3=CCCCC3)=O)c2ncn1

InChI

InChI=1S/C16H21N3O/c1-12-14-7-8-15(20)19(16(14)18-11-17-12)10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3

InChI Key

BMTBISZHMBENJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-2.88

Polar Surface Area

37.459

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

T817-0020 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T817-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T817-0020?
Check Price and Availability of T817-0020, 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 T817-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T817-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T817-0020
  • 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 T817-0020 available by request