J076-0112 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-1,3-diazinan-2-one

J076-0112 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-1,3-diazinan-2-one
J076-0112 Screening compound: 1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0112
1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-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

J076-0112

Molecular Formula

C29H31FN4O2 (C29 H31 FN4 O2)

Compound Name

1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-1,3-diazinan-2-one

IUPAC name

1-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-3-[(2-methylphenyl)methyl]-13-diazinan-2-one

SMILES

Cc1c(CN(CCCN2c(cc3)ccc3C(N(CC3)CCN3c(cc3)ccc3F)=O)C2=O)cccc1

InChI

InChI=1S/C29H31FN4O2/c1-22-5-2-3-6-24(22)21-33-15-4-16-34(29(33)36)27-11-7-23(8-12-27)28(35)32-19-17-31(18-20-32)26-13-9-25(30)10-14-26/h2-3,5-14H,4,15-21H2,1H3

InChI Key

CDQAUIORDUETPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

5.019

Water Solubility, LogSw

-4.54

Polar Surface Area

39.706

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

J076-0112 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with J076-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0112?
Check Price and Availability of J076-0112, 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 J076-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0112
  • 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 J076-0112 available by request