S779-2112 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-1-one

S779-2112 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-1-one
S779-2112 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S779-2112
1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-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

S779-2112

Molecular Formula

C18H29N3O (C18 H29 N3 O)

Compound Name

1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-1-one

IUPAC name

1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1CC(Cn2c(C3CCC3)ncc2C)CC1)=O

InChI

InChI=1S/C18H29N3O/c1-13(2)9-17(22)20-8-7-15(11-20)12-21-14(3)10-19-18(21)16-5-4-6-16/h10,13,15-16H,4-9,11-12H2,1-3H3/t15-/m1/s1

InChI Key

ISLLZPLBVDLERC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32227901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-2.78

Polar Surface Area

28.367

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S779-2112 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S779-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S779-2112?
Check Price and Availability of S779-2112, 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 S779-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S779-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S779-2112
  • 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 S779-2112 available by request