S693-1339 Screening compound: 4-{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

S693-1339 Screening compound: 4-{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile
S693-1339 Screening compound: 4-{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1339
4-{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

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

S693-1339

Molecular Formula

C19H22N4O (C19 H22 N4 O)

Compound Name

4-{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{3-[(25-dimethyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

SMILES

Cc1cnc(C)n1CC(CCC1)CN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C19H22N4O/c1-14-11-21-15(2)23(14)13-17-4-3-9-22(12-17)19(24)18-7-5-16(10-20)6-8-18/h5-8,11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1

InChI Key

GFJDWRWDBLFAFV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32226073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

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

1.989

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-2.04

Polar Surface Area

45.838

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with S693-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1339?
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What is the minimum amount of S693-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1339
  • 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 S693-1339 available by request