S695-1981 Screening compound: 3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

S695-1981 Screening compound: 3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one
S695-1981 Screening compound: 3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-1981
3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-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

S695-1981

Molecular Formula

C12H19N3O (C12 H19 N3 O)

Compound Name

3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

IUPAC name

3-methyl-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

SMILES

CC(C)CC(N(C1)CC1n1c(C)ncc1)=O

InChI

InChI=1S/C12H19N3O/c1-9(2)6-12(16)14-7-11(8-14)15-5-4-13-10(15)3/h4-5,9,11H,6-8H2,1-3H3

InChI Key

UXWWTSQHYHGXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.3

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

0.832

Distribution Coefficient, logD

-0.482

Water Solubility, LogSw

-1.02

Polar Surface Area

29.215

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S695-1981 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S695-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-1981?
Check Price and Availability of S695-1981, 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 S695-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-1981
  • 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 S695-1981 available by request