D300-0127 Screening compound: 5-{[4-({[(furan-2-yl)methyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0127 Screening compound: 5-{[4-({[(furan-2-yl)methyl]amino}methyl)-2-methoxyphenoxy]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0127 Screening compound: 5-{[4-({[(furan-2-yl)methyl]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 D300-0127
5-{[4-({[(furan-2-yl)methyl]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

D300-0127

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(COc(ccc(CNCc1ccco1)c1)c1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C23H25N3O4/c1-25-19-8-6-17(11-20(19)26(2)23(25)27)15-30-21-9-7-16(12-22(21)28-3)13-24-14-18-5-4-10-29-18/h4-12,24H,13-15H2,1-3H3

InChI Key

DLZQVILUBWTUOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694195

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.972

Distribution Coefficient, logD

0.946

Water Solubility, LogSw

-3.32

Polar Surface Area

52.382

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D300-0127 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D300-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0127?
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What is the minimum amount of D300-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0127
  • 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 D300-0127 available by request