T160-0413 Screening compound: 4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine

T160-0413 Screening compound: 4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine
T160-0413 Screening compound: 4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T160-0413
4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine

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

T160-0413

Molecular Formula

C19H31N3O3 (C19 H31 N3 O3)

Compound Name

4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine

IUPAC name

4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-(oxolane-2-carbonyl)piperidine

SMILES

Cc1cnc(CC(CC2)CCN2C(C2OCCC2)=O)n1CCCOC

InChI

InChI=1S/C19H31N3O3/c1-15-14-20-18(22(15)8-4-11-24-2)13-16-6-9-21(10-7-16)19(23)17-5-3-12-25-17/h14,16-17H,3-13H2,1-2H3/t17-/m0/s1

InChI Key

NEGXYJDLQMJRFP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31973104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

-0.898

Water Solubility, LogSw

-1.49

Polar Surface Area

45.780

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

T160-0413 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T160-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T160-0413?
Check Price and Availability of T160-0413, 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 T160-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T160-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T160-0413
  • 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 T160-0413 available by request