S694-1097 Screening compound: 3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

S694-1097 Screening compound: 3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine
S694-1097 Screening compound: 3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1097
3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)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

S694-1097

Molecular Formula

C19H24N6 (C19 H24 N6)

Compound Name

3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

IUPAC name

3-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-5-methyl-1H-imidazol-2-yl)pyridine

SMILES

CCn1ncc(CN(CC2)CC2n2c(-c3cccnc3)ncc2C)c1

InChI

InChI=1S/C19H24N6/c1-3-24-13-16(10-22-24)12-23-8-6-18(14-23)25-15(2)9-21-19(25)17-5-4-7-20-11-17/h4-5,7,9-11,13,18H,3,6,8,12,14H2,1-2H3/t18-/m0/s1

InChI Key

LOTNXVXRNCVMGA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31966494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.826

Distribution Coefficient, logD

-3.049

Water Solubility, LogSw

-0.29

Polar Surface Area

39.588

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

11.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S694-1097 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 S694-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1097?
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What is the minimum amount of S694-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1097
  • 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 S694-1097 available by request