4161-2423 Screening compound: methyl 4-({4-[(1E,3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate

4161-2423 Screening compound: methyl 4-({4-[(1E,3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate
4161-2423 Screening compound: methyl 4-({4-[(1E,3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2423
methyl 4-({4-[(1E,3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate

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

4161-2423

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

methyl 4-({4-[(1E,3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate

IUPAC name

methyl 4-({4-[(1E3Z)-3-(hydroxyimino)but-1-en-1-yl]phenoxy}methyl)benzoate

SMILES

C/C(/C=C/c(cc1)ccc1OCc(cc1)ccc1C(OC)=O)=N/O

InChI

InChI=1S/C19H19NO4/c1-14(20-22)3-4-15-7-11-18(12-8-15)24-13-16-5-9-17(10-6-16)19(21)23-2/h3-12,22H,13H2,1-2H3

InChI Key

VQCROBOGESLLFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.10

Polar Surface Area

57.914

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4161-2423 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4161-2423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2423?
Check Price and Availability of 4161-2423, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4161-2423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2423
  • 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 4161-2423 available by request