J077-1165 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-1,3-diazinan-2-one

J077-1165 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-1,3-diazinan-2-one
J077-1165 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1165
1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-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

J077-1165

Molecular Formula

C28H28F2N4O2 (C28 H28 F2 N4 O2)

Compound Name

1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-1,3-diazinan-2-one

IUPAC name

1-[(3-fluorophenyl)methyl]-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-13-diazinan-2-one

SMILES

O=C(c1cc(N(CCCN2Cc3cc(F)ccc3)C2=O)ccc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C28H28F2N4O2/c29-23-8-3-6-21(18-23)20-33-12-5-13-34(28(33)36)24-9-4-7-22(19-24)27(35)32-16-14-31(15-17-32)26-11-2-1-10-25(26)30/h1-4,6-11,18-19H,5,12-17,20H2

InChI Key

ZAUPRWDSCGKDNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.55

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

4.270

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.30

Polar Surface Area

39.405

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with J077-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1165?
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What is the minimum amount of J077-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1165
  • 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 J077-1165 available by request