D379-0221 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

D379-0221 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one
D379-0221 Screening compound: 1-(3,4-dimethoxyphenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D379-0221
1-(3,4-dimethoxyphenyl)-2-{2-[(2-hydroxyethyl)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

D379-0221

Molecular Formula

C19H21N3O4 (C19 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-25-17-8-7-13(11-18(17)26-2)16(24)12-22-15-6-4-3-5-14(15)21-19(22)20-9-10-23/h3-8,11,23H,9-10,12H2,1-2H3,(H,20,21)

InChI Key

DYTXPWVEAMENQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-2.88

Polar Surface Area

67.586

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D379-0221 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D379-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D379-0221?
Check Price and Availability of D379-0221, 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 D379-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D379-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D379-0221
  • 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 D379-0221 available by request