T040-0582 Screening compound: N~1~-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]-3-(2-morpholino-4-pyridyl)propanamide

T040-0582 Screening compound: N~1~-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]-3-(2-morpholino-4-pyridyl)propanamide
T040-0582 Screening compound: N~1~-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]-3-(2-morpholino-4-pyridyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0582
N~1~-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]-3-(2-morpholino-4-pyridyl)propanamide

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

T040-0582

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

N~1~-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]-3-(2-morpholino-4-pyridyl)propanamide

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2nc1CNC(CCc1cc(N2CCOCC2)ncc1)=O

InChI

InChI=1S/C21H25N5O2/c1-25-18-5-3-2-4-17(18)24-20(25)15-23-21(27)7-6-16-8-9-22-19(14-16)26-10-12-28-13-11-26/h2-5,8-9,14H,6-7,10-13,15H2,1H3,(H,23,27)

InChI Key

NMFYRVDWQNLWQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.81

Polar Surface Area

56.297

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

T040-0582 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T040-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0582?
Check Price and Availability of T040-0582, 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 T040-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0582
  • 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 T040-0582 available by request