J077-1077 Screening compound: N-ethyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

J077-1077 Screening compound: N-ethyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
J077-1077 Screening compound: N-ethyl-3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1077
N-ethyl-3-{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

J077-1077

Molecular Formula

C20H22FN3O2 (C20 H22 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCNC(c1cccc(N(CCCN2Cc(cccc3)c3F)C2=O)c1)=O

InChI

InChI=1S/C20H22FN3O2/c1-2-22-19(25)15-8-5-9-17(13-15)24-12-6-11-23(20(24)26)14-16-7-3-4-10-18(16)21/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,25)

InChI Key

GHAPASGSJRYWJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.41

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

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.31

Polar Surface Area

44.108

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J077-1077 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J077-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1077?
Check Price and Availability of J077-1077, 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 J077-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1077
  • 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 J077-1077 available by request