1770-0316 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

1770-0316 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one
1770-0316 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0316
1-(3,4-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

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

1770-0316

Molecular Formula

C20H23N3O4 (C20 H23 N3 O4)

Compound Name

1-(3,4-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

IUPAC name

1-(34-dimethoxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-13-benzodiazol-1-yl}ethan-1-one

SMILES

COc(ccc(C(Cn1c(NCCCO)nc2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C20H23N3O4/c1-26-18-9-8-14(12-19(18)27-2)17(25)13-23-16-7-4-3-6-15(16)22-20(23)21-10-5-11-24/h3-4,6-9,12,24H,5,10-11,13H2,1-2H3,(H,21,22)

InChI Key

IMEDNRUINZMCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355231

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.84

Polar Surface Area

67.586

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1770-0316 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1770-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0316?
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What is the minimum amount of 1770-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0316
  • 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 1770-0316 available by request