C484-0368 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-3-[(3-methylphenyl)methyl]-1,3-diazinane

C484-0368 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-3-[(3-methylphenyl)methyl]-1,3-diazinane
C484-0368 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-3-[(3-methylphenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound C484-0368
1-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-3-[(3-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

C484-0368

Molecular Formula

C26H29FN2 (C26 H29 FN2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN2C(c3c(C)cccc3)N(Cc(cc3)ccc3F)CCC2)c1

InChI

InChI=1S/C26H29FN2/c1-20-7-5-9-23(17-20)19-29-16-6-15-28(18-22-11-13-24(27)14-12-22)26(29)25-10-4-3-8-21(25)2/h3-5,7-14,17,26H,6,15-16,18-19H2,1-2H3/t26-/m0/s1

InChI Key

ZHXMPWDWQATUTK-SANMLTNESA-N

MDL Number (MFCD)

MFCD14761323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

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

6.069

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.67

Polar Surface Area

6.712

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C484-0368 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C484-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C484-0368?
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What is the minimum amount of C484-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C484-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C484-0368
  • 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 C484-0368 available by request