C174-0907 Screening compound: 3,4-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]propyl}benzamide

C174-0907 Screening compound: 3,4-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]propyl}benzamide
C174-0907 Screening compound: 3,4-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]propyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0907
3,4-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]propyl}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

C174-0907

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

3,4-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]propyl}benzamide

IUPAC name

34-dimethoxy-N-{3-[1-(prop-2-en-1-yl)-1H-13-benzodiazol-2-yl]propyl}benzamide

SMILES

COc(ccc(C(NCCCc1nc(cccc2)c2n1CC=C)=O)c1)c1OC

InChI

InChI=1S/C22H25N3O3/c1-4-14-25-18-9-6-5-8-17(18)24-21(25)10-7-13-23-22(26)16-11-12-19(27-2)20(15-16)28-3/h4-6,8-9,11-12,15H,1,7,10,13-14H2,2-3H3,(H,23,26)

InChI Key

NAUGBMLPVYNQIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.47

Polar Surface Area

50.909

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C174-0907 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 C174-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0907?
Check Price and Availability of C174-0907, 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 C174-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0907
  • 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 C174-0907 available by request