D642-0121 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide

D642-0121 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide
D642-0121 Screening compound: 4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D642-0121
4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide

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

D642-0121

Molecular Formula

C25H24FN3O2 (C25 H24 FN3 O2)

Compound Name

4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(4-methylphenyl)benzamide

IUPAC name

4-{3-[(4-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1NC(c(cc1)ccc1N(CCCN1Cc(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C25H24FN3O2/c1-18-3-11-22(12-4-18)27-24(30)20-7-13-23(14-8-20)29-16-2-15-28(25(29)31)17-19-5-9-21(26)10-6-19/h3-14H,2,15-17H2,1H3,(H,27,30)

InChI Key

FAHXGSSZJFUOIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.24

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D642-0121 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D642-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D642-0121?
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What is the minimum amount of D642-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D642-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D642-0121
  • 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 D642-0121 available by request