T636-0125 Screening compound: 1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine

T636-0125 Screening compound: 1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine
T636-0125 Screening compound: 1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-0125
1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine

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

T636-0125

Molecular Formula

C18H22N4O (C18 H22 N4 O)

Compound Name

1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine

IUPAC name

1-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1c1ncnc2c1CCC2

InChI

InChI=1S/C18H22N4O/c1-23-17-8-3-2-7-16(17)21-9-11-22(12-10-21)18-14-5-4-6-15(14)19-13-20-18/h2-3,7-8,13H,4-6,9-12H2,1H3

InChI Key

NZNGIAPAVFFEDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.62

Polar Surface Area

35.811

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

T636-0125 in Drug Discovery

Included in Screening Libraries

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)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-0125?
Check Price and Availability of T636-0125, 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 T636-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-0125
  • 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 T636-0125 available by request