T636-1878 Screening compound: 4-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)benzonitrile

T636-1878 Screening compound: 4-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)benzonitrile
T636-1878 Screening compound: 4-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1878
4-(4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carbonyl)benzonitrile

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

T636-1878

Molecular Formula

C19H19N5O (C19 H19 N5 O)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCN1c1ncnc2c1CCC2)=O

InChI

InChI=1S/C19H19N5O/c20-12-14-4-6-15(7-5-14)19(25)24-10-8-23(9-11-24)18-16-2-1-3-17(16)21-13-22-18/h4-7,13H,1-3,8-11H2

InChI Key

MDDXEBODAYONGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.32

Polar Surface Area

58.734

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

T636-1878 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1878?
Check Price and Availability of T636-1878, 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 T636-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1878
  • 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 T636-1878 available by request