T428-0742 Screening compound: 2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide

T428-0742 Screening compound: 2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide
T428-0742 Screening compound: 2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0742
2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide

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

T428-0742

Molecular Formula

C17H23N7O (C17 H23 N7 O)

Compound Name

2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide

IUPAC name

n/a

SMILES

CNc1nccc(N2CCC(CC(NCc3nccnc3)=O)CC2)n1

InChI

InChI=1S/C17H23N7O/c1-18-17-21-5-2-15(23-17)24-8-3-13(4-9-24)10-16(25)22-12-14-11-19-6-7-20-14/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,22,25)(H,18,21,23)

InChI Key

SNEGIDNGACDONV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-1.33

Polar Surface Area

77.209

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

T428-0742 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T428-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0742?
Check Price and Availability of T428-0742, 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 T428-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0742
  • 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 T428-0742 available by request