S695-0079 Screening compound: 1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole

S695-0079 Screening compound: 1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole
S695-0079 Screening compound: 1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-0079
1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole

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

S695-0079

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole

IUPAC name

1-[1-(cyclopent-3-ene-1-carbonyl)azetidin-3-yl]-5-methyl-2-phenyl-1H-imidazole

SMILES

Cc1cnc(-c2ccccc2)n1C(C1)CN1C(C1CC=CC1)=O

InChI

InChI=1S/C19H21N3O/c1-14-11-20-18(15-7-3-2-4-8-15)22(14)17-12-21(13-17)19(23)16-9-5-6-10-16/h2-8,11,16-17H,9-10,12-13H2,1H3

InChI Key

QTRQLXMVRBKCNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-2.75

Polar Surface Area

28.940

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

S695-0079 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S695-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-0079?
Check Price and Availability of S695-0079, 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 S695-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-0079
  • 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 S695-0079 available by request