3793-3264 Screening compound: pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

3793-3264 Screening compound: pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
3793-3264 Screening compound: pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3264
pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

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

3793-3264

Molecular Formula

C26H30O6 (C26 H30 O6)

Compound Name

pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

pentyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CCCCCOC(COc(cc1)cc(OC=C2Oc3ccc(C(C)(C)C)cc3)c1C2=O)=O

InChI

InChI=1S/C26H30O6/c1-5-6-7-14-29-24(27)17-30-20-12-13-21-22(15-20)31-16-23(25(21)28)32-19-10-8-18(9-11-19)26(2,3)4/h8-13,15-16H,5-7,14,17H2,1-4H3

InChI Key

NSHCJWCEYHOJQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.137

Distribution Coefficient, logD

6.137

Water Solubility, LogSw

-5.33

Polar Surface Area

55.522

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3793-3264 in Drug Discovery

Included in Screening Libraries

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 3793-3264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3264?
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What is the minimum amount of 3793-3264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3264
  • 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 3793-3264 available by request