T428-0012 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone

T428-0012 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone
T428-0012 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0012
2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone

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

T428-0012

Molecular Formula

C18H29N5O2 (C18 H29 N5 O2)

Compound Name

2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone

IUPAC name

n/a

SMILES

CN(CCC1)CCN1C(CC(CC1)CCN1c1nc(OC)ncc1)=O

InChI

InChI=1S/C18H29N5O2/c1-21-8-3-9-23(13-12-21)17(24)14-15-5-10-22(11-6-15)16-4-7-19-18(20-16)25-2/h4,7,15H,3,5-6,8-14H2,1-2H3

InChI Key

WNKRGGFLHIXJEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

0.392

Water Solubility, LogSw

-1.87

Polar Surface Area

49.431

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

T428-0012 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T428-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0012?
Check Price and Availability of T428-0012, 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 T428-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0012
  • 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 T428-0012 available by request