4108-0772 Screening compound: 1-(3-bromophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one

4108-0772 Screening compound: 1-(3-bromophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one
4108-0772 Screening compound: 1-(3-bromophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4108-0772
1-(3-bromophenyl)-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

4108-0772

Molecular Formula

C17H16BrN3O2 (C17 H16 BrN3 O2)

Compound Name

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

IUPAC name

1-(3-bromophenyl)-2-{2-[(2-hydroxyethyl)amino]-1H-13-benzodiazol-1-yl}ethan-1-one

SMILES

OCCNc1nc(cccc2)c2n1CC(c1cccc(Br)c1)=O

InChI

InChI=1S/C17H16BrN3O2/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22/h1-7,10,22H,8-9,11H2,(H,19,20)

InChI Key

YLRAEQNHJRQMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737463

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

374.24

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

3.434

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.73

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

4108-0772 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4108-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4108-0772?
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What is the minimum amount of 4108-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4108-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4108-0772
  • 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 4108-0772 available by request