K087-0425 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}methoxy)benzoate

K087-0425 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}methoxy)benzoate
K087-0425 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0425
2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}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

K087-0425

Molecular Formula

C37H37N3O7 (C37 H37 N3 O7)

Compound Name

2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}methoxy)benzoate

IUPAC name

2-methylpropyl 4-({2-methoxy-5-[(E)-{[(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl}methoxy)benzoate

SMILES

CC(C)COC(c(cc1)ccc1OCc(cc(/C=N/NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1OC)=O)cc1)c1OC)=O

InChI

InChI=1S/C37H37N3O7/c1-25(2)23-47-37(43)29-13-17-32(18-14-29)46-24-30-20-27(12-19-34(30)45-4)22-38-40-36(42)33(21-26-10-15-31(44-3)16-11-26)39-35(41)28-8-6-5-7-9-28/h5-22,25H,23-24H2,1-4H3,(H,39,41)(H,40,42)

InChI Key

NVEVBNPABOUVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.916

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-5.83

Polar Surface Area

101.010

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.90

K087-0425 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K087-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0425?
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What is the minimum amount of K087-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0425
  • 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 K087-0425 available by request