K087-0172 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl}methoxy)benzoate

K087-0172 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl}methoxy)benzoate
K087-0172 Screening compound: 2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0172
2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]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

K087-0172

Molecular Formula

C26H27N3O5 (C26 H27 N3 O5)

Compound Name

2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl}methoxy)benzoate

IUPAC name

2-methylpropyl 4-({2-methoxy-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl}methoxy)benzoate

SMILES

CC(C)COC(c(cc1)ccc1OCc(cc(/C=N/NC(c1ccncc1)=O)cc1)c1OC)=O

InChI

InChI=1S/C26H27N3O5/c1-18(2)16-34-26(31)21-5-7-23(8-6-21)33-17-22-14-19(4-9-24(22)32-3)15-28-29-25(30)20-10-12-27-13-11-20/h4-15,18H,16-17H2,1-3H3,(H,29,30)

InChI Key

DAFSRLGUOSCILR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.557

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.21

Polar Surface Area

80.970

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K087-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0172?
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What is the minimum amount of K087-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0172
  • 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 K087-0172 available by request