C484-1103 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane

C484-1103 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane
C484-1103 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound C484-1103
1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane

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

C484-1103

Molecular Formula

C26H28ClFN2 (C26 H28 ClFN2)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-13-diazinane

SMILES

Cc1cccc(C2N(Cc(ccc(F)c3)c3Cl)CCCN2Cc2c(C)cccc2)c1

InChI

InChI=1S/C26H28ClFN2/c1-19-7-5-10-21(15-19)26-29(17-22-9-4-3-8-20(22)2)13-6-14-30(26)18-23-11-12-24(28)16-25(23)27/h3-5,7-12,15-16,26H,6,13-14,17-18H2,1-2H3/t26-/m0/s1

InChI Key

ANSRBZWYWOOXEN-SANMLTNESA-N

MDL Number (MFCD)

MFCD14761359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.97

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.111

Distribution Coefficient, logD

7.061

Water Solubility, LogSw

-6.63

Polar Surface Area

6.712

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C484-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C484-1103?
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What is the minimum amount of C484-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C484-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C484-1103
  • 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 C484-1103 available by request