D300-0095 Screening compound: 5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0095 Screening compound: 5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0095 Screening compound: 5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0095
5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)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

D300-0095

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(2-methoxy-4-{[(2-methylpropyl)amino]methyl}phenoxy)methyl]-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CC(C)CNCc(cc1)cc(OC)c1OCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C22H29N3O3/c1-15(2)12-23-13-16-7-9-20(21(11-16)27-5)28-14-17-6-8-18-19(10-17)25(4)22(26)24(18)3/h6-11,15,23H,12-14H2,1-5H3

InChI Key

QFJDLVDBNFHYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12202927

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

-0.508

Water Solubility, LogSw

-3.49

Polar Surface Area

44.905

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

11.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D300-0095 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D300-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0095?
Check Price and Availability of D300-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D300-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0095
  • 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 D300-0095 available by request