D073-0354 Screening compound: 2-(4-methoxyphenoxy)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D073-0354 Screening compound: 2-(4-methoxyphenoxy)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D073-0354 Screening compound: 2-(4-methoxyphenoxy)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0354
2-(4-methoxyphenoxy)-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

D073-0354

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

2-(4-methoxyphenoxy)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(4-methoxyphenoxy)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

Cn1c(ccc(NC(COc(cc2)ccc2OC)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C22H26N4O3/c1-25-20-10-5-16(13-19(20)24-21(25)14-26-11-3-4-12-26)23-22(27)15-29-18-8-6-17(28-2)7-9-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,27)

InChI Key

DMFXCDUJJGZLRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06612363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

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

2.941

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.40

Polar Surface Area

54.244

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D073-0354 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D073-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0354?
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What is the minimum amount of D073-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0354
  • 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 D073-0354 available by request