J101-0248 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide

J101-0248 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide
J101-0248 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0248
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide

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

J101-0248

Molecular Formula

C24H27FN4O3 (C24 H27 FN4 O3)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}propanamide

SMILES

O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)NC1CCN(Cc(cc2)ccc2F)CC1

InChI

InChI=1S/C24H27FN4O3/c25-17-7-5-16(6-8-17)15-29-13-11-18(12-14-29)26-22(30)10-9-21-24(32)27-20-4-2-1-3-19(20)23(31)28-21/h1-8,18,21H,9-15H2,(H,26,30)(H,27,32)(H,28,31)/t21-/m1/s1

InChI Key

HQFYKRUUIOUQOI-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-3.02

Polar Surface Area

78.688

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J101-0248 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J101-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0248?
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What is the minimum amount of J101-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0248
  • 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 J101-0248 available by request