C484-0499 Screening compound: 1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane

C484-0499 Screening compound: 1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
C484-0499 Screening compound: 1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound C484-0499
1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)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

C484-0499

Molecular Formula

C24H23ClF2N2 (C24 H23 ClF2 N2)

Compound Name

1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane

IUPAC name

1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-3-[(2-fluorophenyl)methyl]-13-diazinane

SMILES

Fc1cccc(C2N(Cc(cccc3)c3Cl)CCCN2Cc(cccc2)c2F)c1

InChI

InChI=1S/C24H23ClF2N2/c25-22-11-3-1-7-19(22)16-28-13-6-14-29(17-20-8-2-4-12-23(20)27)24(28)18-9-5-10-21(26)15-18/h1-5,7-12,15,24H,6,13-14,16-17H2/t24-/m1/s1

InChI Key

WHNYHNKOBWFCDQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14761335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.91

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

5.940

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-6.51

Polar Surface Area

6.712

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C484-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C484-0499?
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What is the minimum amount of C484-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C484-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C484-0499
  • 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 C484-0499 available by request