D073-0356 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D073-0356 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D073-0356 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0356
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

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

D073-0356

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc(cc1)cc2c1n(C)c(CN1CCCC1)n2)=O

InChI

InChI=1S/C25H32N4O2/c1-17(2)20-9-7-18(3)13-23(20)31-16-25(30)26-19-8-10-22-21(14-19)27-24(28(22)4)15-29-11-5-6-12-29/h7-10,13-14,17H,5-6,11-12,15-16H2,1-4H3,(H,26,30)

InChI Key

ASSSPENVVLQIQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06613568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

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

4.740

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.42

Polar Surface Area

46.787

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D073-0356 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D073-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0356?
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What is the minimum amount of D073-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0356
  • 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 D073-0356 available by request