S694-1062 Screening compound: 3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

S694-1062 Screening compound: 3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine
S694-1062 Screening compound: 3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1062
3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

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

S694-1062

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

IUPAC name

3-(1-{1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

SMILES

Cc1cnc(-c2cnccc2)n1C1CN(Cc2cccc(OC)c2)CC1

InChI

InChI=1S/C21H24N4O/c1-16-12-23-21(18-6-4-9-22-13-18)25(16)19-8-10-24(15-19)14-17-5-3-7-20(11-17)26-2/h3-7,9,11-13,19H,8,10,14-15H2,1-2H3/t19-/m1/s1

InChI Key

NDLUQNJCQHTYMZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32225860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

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

2.358

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-1.90

Polar Surface Area

32.629

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with S694-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1062?
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What is the minimum amount of S694-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1062
  • 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 S694-1062 available by request