T422-0110 Screening compound: 3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}-1-(4-isopropylpiperazino)-1-propanone

T422-0110 Screening compound: 3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}-1-(4-isopropylpiperazino)-1-propanone
T422-0110 Screening compound: 3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}-1-(4-isopropylpiperazino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T422-0110
3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}-1-(4-isopropylpiperazino)-1-propanone

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

T422-0110

Molecular Formula

C21H36N6O (C21 H36 N6 O)

Compound Name

3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}-1-(4-isopropylpiperazino)-1-propanone

IUPAC name

3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

SMILES

CCNc1cc(N2CCC(CCC(N(CC3)CCN3C(C)C)=O)CC2)ncn1

InChI

InChI=1S/C21H36N6O/c1-4-22-19-15-20(24-16-23-19)26-9-7-18(8-10-26)5-6-21(28)27-13-11-25(12-14-27)17(2)3/h15-18H,4-14H2,1-3H3,(H,22,23,24)

InChI Key

JDECUNRUWIXVQD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.21

Polar Surface Area

53.648

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.19

T422-0110 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

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

Protein-Protein Interaction Library (218420 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
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T422-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T422-0110?
Check Price and Availability of T422-0110, 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 T422-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T422-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T422-0110
  • 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 T422-0110 available by request