J077-1338 Screening compound: 3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]benzamide

J077-1338 Screening compound: 3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]benzamide
J077-1338 Screening compound: 3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1338
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]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

J077-1338

Molecular Formula

C26H26ClN3O2 (C26 H26 ClN3 O2)

Compound Name

3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]benzamide

IUPAC name

3-(3-benzyl-2-oxo-13-diazinan-1-yl)-N-[2-(4-chlorophenyl)ethyl]benzamide

SMILES

O=C(c1cc(N(CCCN2Cc3ccccc3)C2=O)ccc1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C26H26ClN3O2/c27-23-12-10-20(11-13-23)14-15-28-25(31)22-8-4-9-24(18-22)30-17-5-16-29(26(30)32)19-21-6-2-1-3-7-21/h1-4,6-13,18H,5,14-17,19H2,(H,28,31)

InChI Key

HOZIUTDJBVJWNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.78

Polar Surface Area

44.052

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with J077-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1338?
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What is the minimum amount of J077-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1338
  • 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 J077-1338 available by request