3260-0113 Screening compound: 1-(3,4-dichlorophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

3260-0113 Screening compound: 1-(3,4-dichlorophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one
3260-0113 Screening compound: 1-(3,4-dichlorophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0113
1-(3,4-dichlorophenyl)-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

3260-0113

Molecular Formula

C17H15Cl2N3O2 (C17 H15 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

OCCNc1nc(cccc2)c2n1CC(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C17H15Cl2N3O2/c18-12-6-5-11(9-13(12)19)16(24)10-22-15-4-2-1-3-14(15)21-17(22)20-7-8-23/h1-6,9,23H,7-8,10H2,(H,20,21)

InChI Key

RBXLUSXGJVJVMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086999

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

364.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-4.27

Polar Surface Area

52.325

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3260-0113 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3260-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0113?
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What is the minimum amount of 3260-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0113
  • 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 3260-0113 available by request