D300-0106 Screening compound: 5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0106 Screening compound: 5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0106 Screening compound: 5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0106
5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-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

D300-0106

Molecular Formula

C26H28FN3O3 (C26 H28 FN3 O3)

Compound Name

5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{[4-({[2-(4-fluorophenyl)ethyl]amino}methyl)-2-methoxyphenoxy]methyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(COc(ccc(CNCCc(cc1)ccc1F)c1)c1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C26H28FN3O3/c1-29-22-10-6-20(14-23(22)30(2)26(29)31)17-33-24-11-7-19(15-25(24)32-3)16-28-13-12-18-4-8-21(27)9-5-18/h4-11,14-15,28H,12-13,16-17H2,1-3H3

InChI Key

MLHQSVYKKYIXPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694284

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

0.456

Water Solubility, LogSw

-3.60

Polar Surface Area

44.475

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D300-0106 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D300-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0106?
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What is the minimum amount of D300-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0106
  • 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 D300-0106 available by request