8018-7499 Screening compound: 2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-6-methoxyphenol

8018-7499 Screening compound: 2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-6-methoxyphenol
8018-7499 Screening compound: 2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7499
2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-6-methoxyphenol

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

8018-7499

Molecular Formula

C17H13BrN2O4 (C17 H13 BrN2 O4)

Compound Name

2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-6-methoxyphenol

IUPAC name

2-bromo-4-[(1E)-2-[5-(2-hydroxyphenyl)-124-oxadiazol-3-yl]ethenyl]-6-methoxyphenol

SMILES

COc1cc(/C=C/c2noc(-c(cccc3)c3O)n2)cc(Br)c1O

InChI

InChI=1S/C17H13BrN2O4/c1-23-14-9-10(8-12(18)16(14)22)6-7-15-19-17(24-20-15)11-4-2-3-5-13(11)21/h2-9,21-22H,1H3

InChI Key

AAOUJZIBNGNXPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-3.86

Polar Surface Area

72.292

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-7499 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-7499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7499?
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What is the minimum amount of 8018-7499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7499
  • 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 8018-7499 available by request