S695-1667 Screening compound: 3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-1-carbonyl}benzonitrile

S695-1667 Screening compound: 3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-1-carbonyl}benzonitrile
S695-1667 Screening compound: 3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-1667
3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-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

S695-1667

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-1-carbonyl}benzonitrile

IUPAC name

3-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]azetidine-1-carbonyl}benzonitrile

SMILES

CC(C)c1nccn1C(C1)CN1C(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C17H18N4O/c1-12(2)16-19-6-7-21(16)15-10-20(11-15)17(22)14-5-3-4-13(8-14)9-18/h3-8,12,15H,10-11H2,1-2H3

InChI Key

HPOYURWIDIDHAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

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

1.473

Distribution Coefficient, logD

-0.310

Water Solubility, LogSw

-1.76

Polar Surface Area

45.750

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with S695-1667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-1667?
Check Price and Availability of S695-1667, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S695-1667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-1667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-1667
  • 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 S695-1667 available by request