S694-0231 Screening compound: 3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide

S694-0231 Screening compound: 3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide
S694-0231 Screening compound: 3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0231
3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide

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

S694-0231

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide

IUPAC name

3-(5-methyl-2-phenyl-1H-imidazol-1-yl)-N-propylpyrrolidine-1-carboxamide

SMILES

CCCNC(N(CC1)CC1n1c(-c2ccccc2)ncc1C)=O

InChI

InChI=1S/C18H24N4O/c1-3-10-19-18(23)21-11-9-16(13-21)22-14(2)12-20-17(22)15-7-5-4-6-8-15/h4-8,12,16H,3,9-11,13H2,1-2H3,(H,19,23)/t16-/m1/s1

InChI Key

HUPJTZKEEMXSJU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31995757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-2.96

Polar Surface Area

38.740

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S694-0231 in Drug Discovery

Included in Screening Libraries

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

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 S694-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0231?
Check Price and Availability of S694-0231, 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 S694-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0231
  • 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 S694-0231 available by request