T817-0088 Screening compound: 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

T817-0088 Screening compound: 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
T817-0088 Screening compound: 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T817-0088
4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-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

T817-0088

Molecular Formula

C16H24N4O (C16 H24 N4 O)

Compound Name

4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

IUPAC name

4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5H6H7H8H-pyrido[23-d]pyrimidin-7-one

SMILES

CC1N(CCN2c3ncnc(C)c3CCC2=O)CCCC1

InChI

InChI=1S/C16H24N4O/c1-12-5-3-4-8-19(12)9-10-20-15(21)7-6-14-13(2)17-11-18-16(14)20/h11-12H,3-10H2,1-2H3/t12-/m0/s1

InChI Key

KIFJTQUSNOMPES-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29027559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

0.483

Water Solubility, LogSw

-1.82

Polar Surface Area

40.700

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

T817-0088 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 T817-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T817-0088?
Check Price and Availability of T817-0088, 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 T817-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T817-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T817-0088
  • 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 T817-0088 available by request