8010-6367 Screening compound: 3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-1,2,5-oxadiazol-2-ium-2-olate

8010-6367 Screening compound: 3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-1,2,5-oxadiazol-2-ium-2-olate
8010-6367 Screening compound: 3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6367
3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-1,2,5-oxadiazol-2-ium-2-olate

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

8010-6367

Molecular Formula

C15H14N4O5 (C15 H14 N4 O5)

Compound Name

3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-1,2,5-oxadiazol-2-ium-2-olate

IUPAC name

3-({4-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)-4-methyl-125-oxadiazol-2-ium-2-olate

SMILES

Cc1no[n+]([O-])c1COc(ccc(/C=C(/C(N)=O)\C#N)c1)c1OC

InChI

InChI=1S/C15H14N4O5/c1-9-12(19(21)24-18-9)8-23-13-4-3-10(6-14(13)22-2)5-11(7-16)15(17)20/h3-6H,8H2,1-2H3,(H2,17,20)

InChI Key

BULDUQJRTJUHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-1.63

Polar Surface Area

107.617

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-6367 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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 8010-6367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6367?
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What is the minimum amount of 8010-6367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6367
  • 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 8010-6367 available by request