J077-0986 Screening compound: 3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(propan-2-yl)benzamide

J077-0986 Screening compound: 3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(propan-2-yl)benzamide
J077-0986 Screening compound: 3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-0986
3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(propan-2-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

J077-0986

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c1cccc(N(CCCN2Cc3cc(C)ccc3)C2=O)c1)=O

InChI

InChI=1S/C22H27N3O2/c1-16(2)23-21(26)19-9-5-10-20(14-19)25-12-6-11-24(22(25)27)15-18-8-4-7-17(3)13-18/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,23,26)

InChI Key

WWDLLEWMKITMQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

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

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.86

Polar Surface Area

43.456

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with J077-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-0986?
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What is the minimum amount of J077-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-0986
  • 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 J077-0986 available by request