J077-0981 Screening compound: 1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one

J077-0981 Screening compound: 1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
J077-0981 Screening compound: 1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-0981
1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one

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

J077-0981

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one

IUPAC name

1-[(3-methylphenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-13-diazinan-2-one

SMILES

Cc1cccc(CN(CCCN2c3cc(C(N(CC4)CCN4c4ccccc4)=O)ccc3)C2=O)c1

InChI

InChI=1S/C29H32N4O2/c1-23-8-5-9-24(20-23)22-32-14-7-15-33(29(32)35)27-13-6-10-25(21-27)28(34)31-18-16-30(17-19-31)26-11-3-2-4-12-26/h2-6,8-13,20-21H,7,14-19,22H2,1H3

InChI Key

YMPGQRBWOXUGJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.616

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.38

Polar Surface Area

39.706

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with J077-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-0981?
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What is the minimum amount of J077-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-0981
  • 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 J077-0981 available by request