T422-0112 Screening compound: 3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide

T422-0112 Screening compound: 3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide
T422-0112 Screening compound: 3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T422-0112
3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide

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

T422-0112

Molecular Formula

C18H31N5O (C18 H31 N5 O)

Compound Name

3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide

IUPAC name

3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide

SMILES

CCCN(C)C(CCC(CC1)CCN1c1ncnc(NCC)c1)=O

InChI

InChI=1S/C18H31N5O/c1-4-10-22(3)18(24)7-6-15-8-11-23(12-9-15)17-13-16(19-5-2)20-14-21-17/h13-15H,4-12H2,1-3H3,(H,19,20,21)

InChI Key

UMZXDJNSDWCUSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.36

Polar Surface Area

49.536

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

T422-0112 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T422-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T422-0112?
Check Price and Availability of T422-0112, 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 T422-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T422-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T422-0112
  • 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 T422-0112 available by request