J077-1252 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one

J077-1252 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
J077-1252 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1252
1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-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

J077-1252

Molecular Formula

C23H26FN3O2 (C23 H26 FN3 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one

IUPAC name

1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-13-diazinan-2-one

SMILES

O=C(c1cccc(N(CCCN2Cc(cc3)ccc3F)C2=O)c1)N1CCCCC1

InChI

InChI=1S/C23H26FN3O2/c24-20-10-8-18(9-11-20)17-26-14-5-15-27(23(26)29)21-7-4-6-19(16-21)22(28)25-12-2-1-3-13-25/h4,6-11,16H,1-3,5,12-15,17H2

InChI Key

WQGRZIHDEHHRFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.45

Polar Surface Area

36.445

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with J077-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1252?
Check Price and Availability of J077-1252, 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 J077-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1252
  • 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 J077-1252 available by request