S696-0252 Screening compound: ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate

S696-0252 Screening compound: ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate
S696-0252 Screening compound: ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0252
ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate

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

S696-0252

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate

IUPAC name

ethyl 3-({3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]azetidine-1-carbonyl}amino)propanoate

SMILES

CCOC(CCNC(N1CC(Cn2c(-c3ccccc3)ncc2C)C1)=O)=O

InChI

InChI=1S/C20H26N4O3/c1-3-27-18(25)9-10-21-20(26)23-12-16(13-23)14-24-15(2)11-22-19(24)17-7-5-4-6-8-17/h4-8,11,16H,3,9-10,12-14H2,1-2H3,(H,21,26)

InChI Key

YKMHHCAEZMPULT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-2.76

Polar Surface Area

58.413

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S696-0252 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S696-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0252?
Check Price and Availability of S696-0252, 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 S696-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0252
  • 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 S696-0252 available by request