T636-1856 Screening compound: 2-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)quinoline

T636-1856 Screening compound: 2-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)quinoline
T636-1856 Screening compound: 2-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1856
2-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)quinoline

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

T636-1856

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nc2ccccc2cc1)N(CC1)CCN1c1ncnc2c1CCC2

InChI

InChI=1S/C21H21N5O/c27-21(19-9-8-15-4-1-2-6-17(15)24-19)26-12-10-25(11-13-26)20-16-5-3-7-18(16)22-14-23-20/h1-2,4,6,8-9,14H,3,5,7,10-13H2

InChI Key

HMWGMGQGXXDFQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.36

Polar Surface Area

50.008

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T636-1856 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1856?
Check Price and Availability of T636-1856, 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 T636-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1856
  • 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 T636-1856 available by request