C174-0820 Screening compound: N-(3-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)thiophene-2-carboxamide

C174-0820 Screening compound: N-(3-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)thiophene-2-carboxamide
C174-0820 Screening compound: N-(3-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0820
N-(3-{1-[(2,5-dimethylphenyl)methyl]-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

C174-0820

Molecular Formula

C24H25N3OS (C24 H25 N3 OS)

Compound Name

N-(3-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)thiophene-2-carboxamide

IUPAC name

N-(3-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}propyl)thiophene-2-carboxamide

SMILES

Cc1cc(Cn2c(cccc3)c3nc2CCCNC(c2cccs2)=O)c(C)cc1

InChI

InChI=1S/C24H25N3OS/c1-17-11-12-18(2)19(15-17)16-27-21-8-4-3-7-20(21)26-23(27)10-5-13-25-24(28)22-9-6-14-29-22/h3-4,6-9,11-12,14-15H,5,10,13,16H2,1-2H3,(H,25,28)

InChI Key

UFSPHAYAFCGJRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.531

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.23

Polar Surface Area

36.416

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C174-0820 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 C174-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0820?
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What is the minimum amount of C174-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0820
  • 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 C174-0820 available by request