T428-0177 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-ethanone

T428-0177 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-ethanone
T428-0177 Screening compound: 2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0177
2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-[4-(2-pyrimidinyl)-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

T428-0177

Molecular Formula

C21H29N7O2 (C21 H29 N7 O2)

Compound Name

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

IUPAC name

n/a

SMILES

COc1nccc(N2CCC(CC(N(CCC3)CCN3c3ncccn3)=O)CC2)n1

InChI

InChI=1S/C21H29N7O2/c1-30-21-24-9-4-18(25-21)26-12-5-17(6-13-26)16-19(29)27-10-3-11-28(15-14-27)20-22-7-2-8-23-20/h2,4,7-9,17H,3,5-6,10-16H2,1H3

InChI Key

JHORULBASDFDRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-2.88

Polar Surface Area

67.577

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

T428-0177 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T428-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0177?
Check Price and Availability of T428-0177, 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 T428-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0177
  • 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 T428-0177 available by request