D305-1309 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D305-1309 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D305-1309 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1309
2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-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

D305-1309

Molecular Formula

C25H31ClN4O2 (C25 H31 ClN4 O2)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

CCn1c(ccc(NC(COc(cc2)cc(C)c2Cl)=O)c2)c2nc1CN1CCC(C)CC1

InChI

InChI=1S/C25H31ClN4O2/c1-4-30-23-8-5-19(27-25(31)16-32-20-6-7-21(26)18(3)13-20)14-22(23)28-24(30)15-29-11-9-17(2)10-12-29/h5-8,13-14,17H,4,9-12,15-16H2,1-3H3,(H,27,31)

InChI Key

AMUDVRAMTWWCQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455

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

5.648

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.90

Polar Surface Area

45.249

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D305-1309 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D305-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1309?
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What is the minimum amount of D305-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1309
  • 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 D305-1309 available by request