T636-1808 Screening compound: 1-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-one

T636-1808 Screening compound: 1-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-one
T636-1808 Screening compound: 1-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1808
1-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-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

T636-1808

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

1-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-one

IUPAC name

1-(4-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(3-methoxyphenyl)ethan-1-one

SMILES

COc1cccc(CC(N(CC2)CCN2c2ncnc3c2CCC3)=O)c1

InChI

InChI=1S/C20H24N4O2/c1-26-16-5-2-4-15(12-16)13-19(25)23-8-10-24(11-9-23)20-17-6-3-7-18(17)21-14-22-20/h2,4-5,12,14H,3,6-11,13H2,1H3

InChI Key

HRXROIZTTSWTOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.26

Polar Surface Area

48.694

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T636-1808 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1808?
Check Price and Availability of T636-1808, 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 T636-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1808
  • 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 T636-1808 available by request