4860-0001 Screening compound: 2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(3-methoxyphenyl)ethan-1-one

4860-0001 Screening compound: 2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(3-methoxyphenyl)ethan-1-one
4860-0001 Screening compound: 2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(3-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4860-0001
2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(3-methoxyphenyl)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

4860-0001

Molecular Formula

C18H19N3O3 (C18 H19 N3 O3)

Compound Name

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

IUPAC name

n/a

SMILES

COc1cccc(C(Cn2c(NCCO)nc3c2cccc3)=O)c1

InChI

InChI=1S/C18H19N3O3/c1-24-14-6-4-5-13(11-14)17(23)12-21-16-8-3-2-7-15(16)20-18(21)19-9-10-22/h2-8,11,22H,9-10,12H2,1H3,(H,19,20)

InChI Key

BYECYQMFLKEYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284118

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

325.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-3.01

Polar Surface Area

59.868

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4860-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Nucleic Acid Ligands (8311 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4860-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4860-0001?
Check Price and Availability of 4860-0001, 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 4860-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4860-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4860-0001
  • 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 4860-0001 available by request