6043-0027 Screening compound: 2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol

6043-0027 Screening compound: 2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
6043-0027 Screening compound: 2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6043-0027
2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol

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

6043-0027

Molecular Formula

C16H12BrN3O (C16 H12 BrN3 O)

Compound Name

2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol

IUPAC name

2-{3-[(1E)-2-(4-bromophenyl)ethenyl]-1H-124-triazol-5-yl}phenol

SMILES

Oc(cccc1)c1-c1nc(/C=C/c(cc2)ccc2Br)n[nH]1

InChI

InChI=1S/C16H12BrN3O/c17-12-8-5-11(6-9-12)7-10-15-18-16(20-19-15)13-3-1-2-4-14(13)21/h1-10,21H,(H,18,19,20)

InChI Key

YTXGMWJOVHBVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03643689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.06

Polar Surface Area

51.290

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6043-0027 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6043-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6043-0027?
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What is the minimum amount of 6043-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6043-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6043-0027
  • 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 6043-0027 available by request