2910-1111 Screening compound: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

2910-1111 Screening compound: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one
2910-1111 Screening compound: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2910-1111
1-{4-[(4-fluorophenyl)methyl]piperazin-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

2910-1111

Molecular Formula

C16H23FN2O (C16 H23 FN2 O)

Compound Name

1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

IUPAC name

1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1CCN(Cc(cc2)ccc2F)CC1)=O

InChI

InChI=1S/C16H23FN2O/c1-13(2)11-16(20)19-9-7-18(8-10-19)12-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3

InChI Key

OXTLOLKVUMVCLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829887

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

278.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.58

Polar Surface Area

20.171

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

2910-1111 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2910-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2910-1111?
Check Price and Availability of 2910-1111, 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 2910-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2910-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2910-1111
  • 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 2910-1111 available by request