S694-1592 Screening compound: 1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-phenylethan-1-one

S694-1592 Screening compound: 1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-phenylethan-1-one
S694-1592 Screening compound: 1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1592
1-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-phenylethan-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

S694-1592

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C)n1C(CC1)CN1C(Cc1ccccc1)=O

InChI

InChI=1S/C17H21N3O/c1-13-11-18-14(2)20(13)16-8-9-19(12-16)17(21)10-15-6-4-3-5-7-15/h3-7,11,16H,8-10,12H2,1-2H3/t16-/m1/s1

InChI Key

GLMRKYVXKJHFAV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31964253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

-0.219

Water Solubility, LogSw

-1.52

Polar Surface Area

29.005

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S694-1592 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S694-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1592?
Check Price and Availability of S694-1592, 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 S694-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1592
  • 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 S694-1592 available by request