C484-0174 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane

C484-0174 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
C484-0174 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound C484-0174
2-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-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

C484-0174

Molecular Formula

C27H31FN2O2 (C27 H31 FN2 O2)

Compound Name

2-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane

IUPAC name

2-(25-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-13-diazinane

SMILES

Cc1ccc(CN2C(c(cc(cc3)OC)c3OC)N(Cc(cc3)ccc3F)CCC2)cc1

InChI

InChI=1S/C27H31FN2O2/c1-20-5-7-21(8-6-20)18-29-15-4-16-30(19-22-9-11-23(28)12-10-22)27(29)25-17-24(31-2)13-14-26(25)32-3/h5-14,17,27H,4,15-16,18-19H2,1-3H3/t27-/m0/s1

InChI Key

CGLYYDUNJZIQQK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14761308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.595

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-5.43

Polar Surface Area

21.887

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C484-0174 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C484-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C484-0174?
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What is the minimum amount of C484-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C484-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C484-0174
  • 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 C484-0174 available by request