S696-1335 Screening compound: 1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one

S696-1335 Screening compound: 1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one
S696-1335 Screening compound: 1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1335
1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one

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

S696-1335

Molecular Formula

C23H26N4O (C23 H26 N4 O)

Compound Name

1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one

IUPAC name

1-(3-{[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)-4-phenylbutan-1-one

SMILES

Cc1cnc(-c2ccncc2)n1CC(C1)CN1C(CCCc1ccccc1)=O

InChI

InChI=1S/C23H26N4O/c1-18-14-25-23(21-10-12-24-13-11-21)27(18)17-20-15-26(16-20)22(28)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-14,20H,5,8-9,15-17H2,1H3

InChI Key

LYRACAXZLJHKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.38

Polar Surface Area

36.899

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

S696-1335 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S696-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1335?
Check Price and Availability of S696-1335, 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 S696-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1335
  • 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 S696-1335 available by request