J076-0598 Screening compound: 1-[4-(2,3-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one

J076-0598 Screening compound: 1-[4-(2,3-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one
J076-0598 Screening compound: 1-[4-(2,3-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J076-0598
1-[4-(2,3-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-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

J076-0598

Molecular Formula

C26H24FN3O2 (C26 H24 FN3 O2)

Compound Name

1-[4-(2,3-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one

IUPAC name

1-[4-(23-dihydro-1H-indole-1-carbonyl)phenyl]-3-[(4-fluorophenyl)methyl]-13-diazinan-2-one

SMILES

O=C(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2F)C1=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C26H24FN3O2/c27-22-10-6-19(7-11-22)18-28-15-3-16-29(26(28)32)23-12-8-21(9-13-23)25(31)30-17-14-20-4-1-2-5-24(20)30/h1-2,4-13H,3,14-18H2

InChI Key

RYTOSEHQLPFWPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.24

Polar Surface Area

35.476

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J076-0598 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J076-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J076-0598?
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What is the minimum amount of J076-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J076-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J076-0598
  • 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 J076-0598 available by request