D210-0168 Screening compound: 2-(4-fluorophenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D210-0168 Screening compound: 2-(4-fluorophenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D210-0168 Screening compound: 2-(4-fluorophenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D210-0168
2-(4-fluorophenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

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

D210-0168

Molecular Formula

C21H21FN2O (C21 H21 FN2 O)

Compound Name

2-(4-fluorophenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(4-fluorophenyl)-5-methyl-7-phenyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CC(C1)(CN(C2)C(c(cc3)ccc3F)N1CC21c2ccccc2)C1=O

InChI

InChI=1S/C21H23FN2O/c1-20-11-23-13-21(19(20)25,16-5-3-2-4-6-16)14-24(12-20)18(23)15-7-9-17(22)10-8-15/h2-10,18,23-24H,11-14H2,1H3

InChI Key

VBEQATAUVIYNGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.51

Polar Surface Area

19.647

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D210-0168 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D210-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D210-0168?
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What is the minimum amount of D210-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D210-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D210-0168
  • 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 D210-0168 available by request