J076-0415 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J076-0415 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J076-0415 Screening compound: N-(3,4-dimethoxyphenyl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0415
N-(3,4-dimethoxyphenyl)-4-{3-[(2-fluorophenyl)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

J076-0415

Molecular Formula

C26H26FN3O4 (C26 H26 FN3 O4)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

COc(ccc(NC(c(cc1)ccc1N(CCCN1Cc(cccc2)c2F)C1=O)=O)c1)c1OC

InChI

InChI=1S/C26H26FN3O4/c1-33-23-13-10-20(16-24(23)34-2)28-25(31)18-8-11-21(12-9-18)30-15-5-14-29(26(30)32)17-19-6-3-4-7-22(19)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,28,31)

InChI Key

YMQRTHMHNLWISL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.29

Polar Surface Area

58.149

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with J076-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0415?
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What is the minimum amount of J076-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0415
  • 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 J076-0415 available by request