C174-1247 Screening compound: 2-methoxy-N-[1-(1-pentyl-1H-1,3-benzodiazol-2-yl)-2-phenylethyl]acetamide

C174-1247 Screening compound: 2-methoxy-N-[1-(1-pentyl-1H-1,3-benzodiazol-2-yl)-2-phenylethyl]acetamide
C174-1247 Screening compound: 2-methoxy-N-[1-(1-pentyl-1H-1,3-benzodiazol-2-yl)-2-phenylethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-1247
2-methoxy-N-[1-(1-pentyl-1H-1,3-benzodiazol-2-yl)-2-phenylethyl]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

C174-1247

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

2-methoxy-N-[1-(1-pentyl-1H-1,3-benzodiazol-2-yl)-2-phenylethyl]acetamide

IUPAC name

2-methoxy-N-[1-(1-pentyl-1H-13-benzodiazol-2-yl)-2-phenylethyl]acetamide

SMILES

CCCCCn1c(cccc2)c2nc1C(Cc1ccccc1)NC(COC)=O

InChI

InChI=1S/C23H29N3O2/c1-3-4-10-15-26-21-14-9-8-13-19(21)25-23(26)20(24-22(27)17-28-2)16-18-11-6-5-7-12-18/h5-9,11-14,20H,3-4,10,15-17H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

ADEADMAFGPSFNM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04459375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.39

Polar Surface Area

42.671

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C174-1247 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C174-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-1247?
Check Price and Availability of C174-1247, 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 C174-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-1247
  • 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 C174-1247 available by request