J076-0604 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J076-0604 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J076-0604 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0604
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-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

J076-0604

Molecular Formula

C26H24FN3O4 (C26 H24 FN3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2F)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H24FN3O4/c27-21-7-2-18(3-8-21)16-29-12-1-13-30(26(29)32)22-9-5-20(6-10-22)25(31)28-15-19-4-11-23-24(14-19)34-17-33-23/h2-11,14H,1,12-13,15-17H2,(H,28,31)

InChI Key

QVVZQRQXPHZRQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.07

Polar Surface Area

61.326

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J076-0604 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J076-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0604?
Check Price and Availability of J076-0604, 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 J076-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0604
  • 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 J076-0604 available by request