C174-0794 Screening compound: N-[3-(1-butyl-1H-1,3-benzodiazol-2-yl)propyl]thiophene-2-carboxamide

C174-0794 Screening compound: N-[3-(1-butyl-1H-1,3-benzodiazol-2-yl)propyl]thiophene-2-carboxamide
C174-0794 Screening compound: N-[3-(1-butyl-1H-1,3-benzodiazol-2-yl)propyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0794
N-[3-(1-butyl-1H-1,3-benzodiazol-2-yl)propyl]thiophene-2-carboxamide

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

C174-0794

Molecular Formula

C19H23N3OS (C19 H23 N3 OS)

Compound Name

N-[3-(1-butyl-1H-1,3-benzodiazol-2-yl)propyl]thiophene-2-carboxamide

IUPAC name

N-[3-(1-butyl-1H-13-benzodiazol-2-yl)propyl]thiophene-2-carboxamide

SMILES

CCCCn1c(cccc2)c2nc1CCCNC(c1cccs1)=O

InChI

InChI=1S/C19H23N3OS/c1-2-3-13-22-16-9-5-4-8-15(16)21-18(22)11-6-12-20-19(23)17-10-7-14-24-17/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,20,23)

InChI Key

REVYVAXBRVQJMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.48

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

4.059

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-3.79

Polar Surface Area

36.666

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C174-0794 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C174-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0794?
Check Price and Availability of C174-0794, 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 C174-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0794
  • 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 C174-0794 available by request