T428-0747 Screening compound: N-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)METHYL]-2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}ACETAMIDE

T428-0747 Screening compound: N-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)METHYL]-2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}ACETAMIDE
T428-0747 Screening compound: N-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)METHYL]-2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0747
N-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)METHYL]-2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}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

T428-0747

Molecular Formula

C21H27N7O (C21 H27 N7 O)

Compound Name

N-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)METHYL]-2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}ACETAMIDE

IUPAC name

N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]-2-{1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl}acetamide

SMILES

CNc1nccc(N2CCC(CC(NCc3nc(cccc4)c4n3C)=O)CC2)n1

InChI

InChI=1S/C21H27N7O/c1-22-21-23-10-7-18(26-21)28-11-8-15(9-12-28)13-20(29)24-14-19-25-16-5-3-4-6-17(16)27(19)2/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,24,29)(H,22,23,26)

InChI Key

FEVMWZWCZAXHOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.631

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.82

Polar Surface Area

70.135

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

T428-0747 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T428-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0747?
Check Price and Availability of T428-0747, 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 T428-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0747
  • 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 T428-0747 available by request