T159-0478 Screening compound: 3-{[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-N-ETHYLTETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

T159-0478 Screening compound: 3-{[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-N-ETHYLTETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE
T159-0478 Screening compound: 3-{[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-N-ETHYLTETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T159-0478
3-{[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-N-ETHYLTETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

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

T159-0478

Molecular Formula

C17H28N4O (C17 H28 N4 O)

Compound Name

3-{[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-N-ETHYLTETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCNC(N1CC(Cc2ncc(C)n2CC2CC2)CCC1)=O

InChI

InChI=1S/C17H28N4O/c1-3-18-17(22)20-8-4-5-15(11-20)9-16-19-10-13(2)21(16)12-14-6-7-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,18,22)/t15-/m1/s1

InChI Key

NFNPPJOFHYNQIW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29017925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-2.45

Polar Surface Area

39.273

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.50

T159-0478 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T159-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T159-0478?
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What is the minimum amount of T159-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T159-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T159-0478
  • 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 T159-0478 available by request