S698-2193 Screening compound: 4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-2-carbonyl)piperidine

S698-2193 Screening compound: 4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-2-carbonyl)piperidine
S698-2193 Screening compound: 4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-2193
4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-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

S698-2193

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-2-carbonyl)piperidine

IUPAC name

4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]-1-(thiophene-2-carbonyl)piperidine

SMILES

Cc1cnc(COC)n1C(CC1)CCN1C(c1cccs1)=O

InChI

InChI=1S/C16H21N3O2S/c1-12-10-17-15(11-21-2)19(12)13-5-7-18(8-6-13)16(20)14-4-3-9-22-14/h3-4,9-10,13H,5-8,11H2,1-2H3

InChI Key

MFDPSKPSQVSMGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.828

Distribution Coefficient, logD

0.362

Water Solubility, LogSw

-1.95

Polar Surface Area

38.874

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S698-2193 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S698-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-2193?
Check Price and Availability of S698-2193, 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 S698-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-2193
  • 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 S698-2193 available by request