J077-1281 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one

J077-1281 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
J077-1281 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1281
1-[(4-chlorophenyl)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

J077-1281

Molecular Formula

C28H29ClN4O2 (C28 H29 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(CCCN2Cc(cc3)ccc3Cl)C2=O)c1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C28H29ClN4O2/c29-24-12-10-22(11-13-24)21-32-14-5-15-33(28(32)35)26-9-4-6-23(20-26)27(34)31-18-16-30(17-19-31)25-7-2-1-3-8-25/h1-4,6-13,20H,5,14-19,21H2

InChI Key

OTNDNTSCNFCJSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.02

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

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.78

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

28.60

References: we are preparing a list of scientific research reports with J077-1281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1281?
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What is the minimum amount of J077-1281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1281
  • 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 J077-1281 available by request