D685-0008 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]butanamide

D685-0008 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]butanamide
D685-0008 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0008
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]butanamide

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

D685-0008

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]butanamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methylphenyl]butanamide

SMILES

CCCC(Nc1c(C)ccc(-c2nc(cccc3)c3[nH]2)c1)=O

InChI

InChI=1S/C18H19N3O/c1-3-6-17(22)19-16-11-13(10-9-12(16)2)18-20-14-7-4-5-8-15(14)21-18/h4-5,7-11H,3,6H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

QRSFQAIECCLZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07112959

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.98

Polar Surface Area

41.709

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D685-0008 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D685-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0008?
Check Price and Availability of D685-0008, 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 D685-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0008
  • 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 D685-0008 available by request