T422-0803 Screening compound: 3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile

T422-0803 Screening compound: 3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile
T422-0803 Screening compound: 3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T422-0803
3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile

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

T422-0803

Molecular Formula

C22H35N7O (C22 H35 N7 O)

Compound Name

3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile

IUPAC name

3-[4-(3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanoyl)piperazin-1-yl]propanenitrile

SMILES

CCCNc1cc(N2CCC(CCC(N3CCN(CCC#N)CC3)=O)CC2)ncn1

InChI

InChI=1S/C22H35N7O/c1-2-9-24-20-17-21(26-18-25-20)28-11-6-19(7-12-28)4-5-22(30)29-15-13-27(14-16-29)10-3-8-23/h17-19H,2-7,9-16H2,1H3,(H,24,25,26)

InChI Key

GMFQVSVVWZZABD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.61

Polar Surface Area

71.282

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

T422-0803 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Eccentric PPI Library (11937 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T422-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T422-0803?
Check Price and Availability of T422-0803, 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 T422-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T422-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T422-0803
  • 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 T422-0803 available by request