T422-0839 Screening compound: N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide

T422-0839 Screening compound: N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
T422-0839 Screening compound: N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T422-0839
N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide

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

T422-0839

Molecular Formula

C23H33N5O (C23 H33 N5 O)

Compound Name

N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide

IUPAC name

N-[(3-methylphenyl)methyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide

SMILES

CCCNc1cc(N2CCC(CCC(NCc3cc(C)ccc3)=O)CC2)ncn1

InChI

InChI=1S/C23H33N5O/c1-3-11-24-21-15-22(27-17-26-21)28-12-9-19(10-13-28)7-8-23(29)25-16-20-6-4-5-18(2)14-20/h4-6,14-15,17,19H,3,7-13,16H2,1-2H3,(H,25,29)(H,24,26,27)

InChI Key

ZBWAPJNPBDQMEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.80

Polar Surface Area

58.079

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

T422-0839 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T422-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T422-0839?
Check Price and Availability of T422-0839, 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 T422-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T422-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T422-0839
  • 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 T422-0839 available by request