S694-1617 Screening compound: 2-(benzyloxy)-1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one

S694-1617 Screening compound: 2-(benzyloxy)-1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one
S694-1617 Screening compound: 2-(benzyloxy)-1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1617
2-(benzyloxy)-1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one

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

S694-1617

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

2-(benzyloxy)-1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(benzyloxy)-1-[3-(25-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

Cc1cnc(C)n1C(CC1)CN1C(COCc1ccccc1)=O

InChI

InChI=1S/C18H23N3O2/c1-14-10-19-15(2)21(14)17-8-9-20(11-17)18(22)13-23-12-16-6-4-3-5-7-16/h3-7,10,17H,8-9,11-13H2,1-2H3/t17-/m1/s1

InChI Key

HNHLDTQDQPZVEW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31996743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

-0.669

Water Solubility, LogSw

-1.33

Polar Surface Area

37.439

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S694-1617 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S694-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1617?
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What is the minimum amount of S694-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1617
  • 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 S694-1617 available by request