1246-0672 Screening compound: (2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

1246-0672 Screening compound: (2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
1246-0672 Screening compound: (2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0672
(2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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

1246-0672

Molecular Formula

C29H28N2O3S (C29 H28 N2 O3 S)

Compound Name

(2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-[4-(octyloxy)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

CCCCCCCCOc1ccc(/C=C(/c2nc(C3=Cc(cccc4)c4OC3=O)cs2)\C#N)cc1

InChI

InChI=1S/C29H28N2O3S/c1-2-3-4-5-6-9-16-33-24-14-12-21(13-15-24)17-23(19-30)28-31-26(20-35-28)25-18-22-10-7-8-11-27(22)34-29(25)32/h7-8,10-15,17-18,20H,2-6,9,16H2,1H3

InChI Key

ZSNSFPMQLBEEBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.344

Distribution Coefficient, logD

8.344

Water Solubility, LogSw

-5.83

Polar Surface Area

55.096

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

1246-0672 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1246-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0672?
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What is the minimum amount of 1246-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0672
  • 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 1246-0672 available by request