T422-0796 Screening compound: N-butyl-N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide

T422-0796 Screening compound: N-butyl-N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
T422-0796 Screening compound: N-butyl-N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T422-0796
N-butyl-N-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

T422-0796

Molecular Formula

C20H35N5O (C20 H35 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)C(CCC(CC1)CCN1c1ncnc(NCCC)c1)=O

InChI

InChI=1S/C20H35N5O/c1-4-6-12-24(3)20(26)8-7-17-9-13-25(14-10-17)19-15-18(21-11-5-2)22-16-23-19/h15-17H,4-14H2,1-3H3,(H,21,22,23)

InChI Key

FKKLDYKUOCWZKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-3.92

Polar Surface Area

49.752

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

T422-0796 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T422-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T422-0796?
Check Price and Availability of T422-0796, 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 T422-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T422-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T422-0796
  • 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 T422-0796 available by request