T636-0444 Screening compound: 2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

T636-0444 Screening compound: 2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
T636-0444 Screening compound: 2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-0444
2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

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

T636-0444

Molecular Formula

C16H18N4 (C16 H18 N4)

Compound Name

2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

IUPAC name

2-cyclopropyl-N-[(pyridin-4-yl)methyl]-5H6H7H-cyclopenta[d]pyrimidin-4-amine

SMILES

C(c1ccncc1)Nc1nc(C2CC2)nc2c1CCC2

InChI

InChI=1S/C16H18N4/c1-2-13-14(3-1)19-15(12-4-5-12)20-16(13)18-10-11-6-8-17-9-7-11/h6-9,12H,1-5,10H2,(H,18,19,20)

InChI Key

COMYGBJKUCRVJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-2.29

Polar Surface Area

41.151

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T636-0444 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)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T636-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-0444?
Check Price and Availability of T636-0444, 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 T636-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-0444
  • 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 T636-0444 available by request