S694-1106 Screening compound: 3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-1-carboxamide

S694-1106 Screening compound: 3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-1-carboxamide
S694-1106 Screening compound: 3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1106
3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-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

S694-1106

Molecular Formula

C20H21N5O (C20 H21 N5 O)

Compound Name

3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-1-carboxamide

IUPAC name

3-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]-N-phenylpyrrolidine-1-carboxamide

SMILES

Cc1cnc(-c2cnccc2)n1C(CC1)CN1C(Nc1ccccc1)=O

InChI

InChI=1S/C20H21N5O/c1-15-12-22-19(16-6-5-10-21-13-16)25(15)18-9-11-24(14-18)20(26)23-17-7-3-2-4-8-17/h2-8,10,12-13,18H,9,11,14H2,1H3,(H,23,26)/t18-/m1/s1

InChI Key

XWHFQRZQVPNFRD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32225929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.06

Polar Surface Area

46.822

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S694-1106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S694-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1106?
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What is the minimum amount of S694-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1106
  • 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 S694-1106 available by request