C174-0669 Screening compound: 3-methyl-N-[2-(1-pentyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

C174-0669 Screening compound: 3-methyl-N-[2-(1-pentyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide
C174-0669 Screening compound: 3-methyl-N-[2-(1-pentyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0669
3-methyl-N-[2-(1-pentyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

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

C174-0669

Molecular Formula

C22H27N3O (C22 H27 N3 O)

Compound Name

3-methyl-N-[2-(1-pentyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

IUPAC name

3-methyl-N-[2-(1-pentyl-1H-13-benzodiazol-2-yl)ethyl]benzamide

SMILES

CCCCCn1c(cccc2)c2nc1CCNC(c1cc(C)ccc1)=O

InChI

InChI=1S/C22H27N3O/c1-3-4-7-15-25-20-12-6-5-11-19(20)24-21(25)13-14-23-22(26)18-10-8-9-17(2)16-18/h5-6,8-12,16H,3-4,7,13-15H2,1-2H3,(H,23,26)

InChI Key

HLBVPDMVWVPUBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.929

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-4.47

Polar Surface Area

35.648

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C174-0669 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C174-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0669?
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What is the minimum amount of C174-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0669
  • 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 C174-0669 available by request