S693-0963 Screening compound: 3-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine

S693-0963 Screening compound: 3-[5-methyl-1-({1-[(pyridin-4-yl)methyl]piperidin-3-yl}methyl)-1H-imidazol-2-yl]pyridine
S693-0963 Screening compound: 3-[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 S693-0963
3-[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

S693-0963

Molecular Formula

C21H25N5 (C21 H25 N5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2cccnc2)n1CC1CN(Cc2ccncc2)CCC1

InChI

InChI=1S/C21H25N5/c1-17-12-24-21(20-5-2-8-23-13-20)26(17)16-19-4-3-11-25(15-19)14-18-6-9-22-10-7-18/h2,5-10,12-13,19H,3-4,11,14-16H2,1H3/t19-/m0/s1

InChI Key

VMFMKOHGJBJXLN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32226043

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

1.765

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-0.55

Polar Surface Area

33.764

Acid Dissociation Constant (pKa)

23.99

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S693-0963 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 S693-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0963?
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What is the minimum amount of S693-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0963
  • 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 S693-0963 available by request