C484-0535 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinane

C484-0535 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinane
C484-0535 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound C484-0535
1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-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

C484-0535

Molecular Formula

C25H26ClFN2O (C25 H26 ClFN2 O)

Compound Name

1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinane

IUPAC name

1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)-13-diazinane

SMILES

COc1c(C2N(Cc(cccc3)c3Cl)CCCN2Cc(cc2)ccc2F)cccc1

InChI

InChI=1S/C25H26ClFN2O/c1-30-24-10-5-3-8-22(24)25-28(17-19-11-13-21(27)14-12-19)15-6-16-29(25)18-20-7-2-4-9-23(20)26/h2-5,7-14,25H,6,15-18H2,1H3/t25-/m0/s1

InChI Key

IZPMIOOIYSMCLB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14761342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.740

Distribution Coefficient, logD

5.697

Water Solubility, LogSw

-5.98

Polar Surface Area

14.343

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C484-0535 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C484-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C484-0535?
Check Price and Availability of C484-0535, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C484-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C484-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C484-0535
  • 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 C484-0535 available by request