7610-2121 Screening compound: [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl](piperidino)methanone

7610-2121 Screening compound: [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl](piperidino)methanone
7610-2121 Screening compound: [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl](piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-2121
[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl](piperidino)methanone

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

7610-2121

Molecular Formula

C15H16ClFN2O2 (C15 H16 ClFN2 O2)

Compound Name

[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl](piperidino)methanone

IUPAC name

1-[3-(2-chloro-6-fluorophenyl)-45-dihydro-12-oxazole-5-carbonyl]piperidine

SMILES

O=C(C(C1)ON=C1c(c(F)ccc1)c1Cl)N1CCCCC1

InChI

InChI=1S/C15H16ClFN2O2/c16-10-5-4-6-11(17)14(10)12-9-13(21-18-12)15(20)19-7-2-1-3-8-19/h4-6,13H,1-3,7-9H2/t13-/m1/s1

InChI Key

VKMJPXCFBURLRO-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.75

Polar Surface Area

39.480

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

7610-2121 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7610-2121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-2121?
Check Price and Availability of 7610-2121, 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 7610-2121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-2121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-2121
  • 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 7610-2121 available by request