4161-2418 Screening compound: methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)benzoate

4161-2418 Screening compound: methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)benzoate
4161-2418 Screening compound: methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2418
methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}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

4161-2418

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)benzoate

IUPAC name

methyl 4-({4-[(E)-(hydroxyimino)methyl]-2-methoxyphenoxy}methyl)benzoate

SMILES

COC(c1ccc(COc(ccc(/C=N/O)c2)c2OC)cc1)=O

InChI

InChI=1S/C17H17NO5/c1-21-16-9-13(10-18-20)5-8-15(16)23-11-12-3-6-14(7-4-12)17(19)22-2/h3-10,20H,11H2,1-2H3

InChI Key

QNJYGYDMSXCRNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.18

Polar Surface Area

65.372

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4161-2418 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4161-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2418?
Check Price and Availability of 4161-2418, 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 4161-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2418
  • 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 4161-2418 available by request