J076-0071 Screening compound: N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J076-0071 Screening compound: N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J076-0071 Screening compound: N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0071
N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

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

J076-0071

Molecular Formula

C25H24FN3O2 (C25 H24 FN3 O2)

Compound Name

N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-(2-fluorophenyl)-4-{3-[(2-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

Cc1c(CN(CCCN2c(cc3)ccc3C(Nc(cccc3)c3F)=O)C2=O)cccc1

InChI

InChI=1S/C25H24FN3O2/c1-18-7-2-3-8-20(18)17-28-15-6-16-29(25(28)31)21-13-11-19(12-14-21)24(30)27-23-10-5-4-9-22(23)26/h2-5,7-14H,6,15-17H2,1H3,(H,27,30)

InChI Key

TXDYOWOUBKBRBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-4.86

Polar Surface Area

42.190

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J076-0071 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J076-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0071?
Check Price and Availability of J076-0071, 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 J076-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0071
  • 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 J076-0071 available by request