S693-1217 Screening compound: 4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine

S693-1217 Screening compound: 4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine
S693-1217 Screening compound: 4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1217
4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}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

S693-1217

Molecular Formula

C21H25N5 (C21 H25 N5)

Compound Name

4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine

IUPAC name

4-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine

SMILES

Cc1cnc(-c2ccncc2)n1CC1CN(Cc2ccncc2)CCC1

InChI

InChI=1S/C21H25N5/c1-17-13-24-21(20-6-10-23-11-7-20)26(17)16-19-3-2-12-25(15-19)14-18-4-8-22-9-5-18/h4-11,13,19H,2-3,12,14-16H2,1H3/t19-/m0/s1

InChI Key

KBWUTDWHPWQCOF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32225922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

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

1.996

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-1.19

Polar Surface Area

33.674

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S693-1217 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S693-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1217?
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What is the minimum amount of S693-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1217
  • 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 S693-1217 available by request