8017-6980 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-3,5-dimethoxybenzamide

8017-6980 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-3,5-dimethoxybenzamide
8017-6980 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6980
N-[(1H-1,3-benzodiazol-2-yl)methyl]-3,5-dimethoxybenzamide

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

8017-6980

Molecular Formula

C17H17N3O3 (C17 H17 N3 O3)

Compound Name

N-[(1H-1,3-benzodiazol-2-yl)methyl]-3,5-dimethoxybenzamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-35-dimethoxybenzamide

SMILES

COc1cc(C(NCc2nc(cccc3)c3[nH]2)=O)cc(OC)c1

InChI

InChI=1S/C17H17N3O3/c1-22-12-7-11(8-13(9-12)23-2)17(21)18-10-16-19-14-5-3-4-6-15(14)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

WCOYBZXWPMDLLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.33

Polar Surface Area

60.021

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8017-6980 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-6980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6980?
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What is the minimum amount of 8017-6980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6980
  • 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 8017-6980 available by request