K087-0128 Screening compound: 2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)benzoate

K087-0128 Screening compound: 2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)benzoate
K087-0128 Screening compound: 2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0128
2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)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

K087-0128

Molecular Formula

C28H29FN2O5 (C28 H29 FN2 O5)

Compound Name

2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)benzoate

IUPAC name

2-methylpropyl 4-({5-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]-2-methoxyphenyl}methoxy)benzoate

SMILES

CC(C)COC(c(cc1)ccc1OCc(cc(/C=N/NC(Cc(cc1)ccc1F)=O)cc1)c1OC)=O

InChI

InChI=1S/C28H29FN2O5/c1-19(2)17-36-28(33)22-7-11-25(12-8-22)35-18-23-14-21(6-13-26(23)34-3)16-30-31-27(32)15-20-4-9-24(29)10-5-20/h4-14,16,19H,15,17-18H2,1-3H3,(H,31,32)

InChI Key

IBXKIYUOHVJGJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.57

Polar Surface Area

71.328

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K087-0128 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 K087-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0128?
Check Price and Availability of K087-0128, 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 K087-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0128
  • 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 K087-0128 available by request