J077-1169 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide

J077-1169 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide
J077-1169 Screening compound: 3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1169
3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-[4-(2-hydroxyethyl)phenyl]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

J077-1169

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

OCCc(cc1)ccc1NC(c1cccc(N(CCCN2Cc3cccc(F)c3)C2=O)c1)=O

InChI

InChI=1S/C26H26FN3O3/c27-22-6-1-4-20(16-22)18-29-13-3-14-30(26(29)33)24-7-2-5-21(17-24)25(32)28-23-10-8-19(9-11-23)12-15-31/h1-2,4-11,16-17,31H,3,12-15,18H2,(H,28,32)

InChI Key

ZKDTYZUAIKWXTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.78

Polar Surface Area

59.544

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with J077-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1169?
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What is the minimum amount of J077-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1169
  • 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 J077-1169 available by request