8005-7697 Screening compound: 2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate

8005-7697 Screening compound: 2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate
8005-7697 Screening compound: 2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7697
2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate

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

8005-7697

Molecular Formula

C27H27IN2O5 (C27 H27 IN2 O5)

Compound Name

2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate

IUPAC name

2-methoxy-4-[(E)-({2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-iodobenzoate

SMILES

CC(C)c(ccc(C)c1)c1OCC(N/N=C/c(cc1)cc(OC)c1OC(c(cccc1)c1I)=O)=O

InChI

InChI=1S/C27H27IN2O5/c1-17(2)20-11-9-18(3)13-24(20)34-16-26(31)30-29-15-19-10-12-23(25(14-19)33-4)35-27(32)21-7-5-6-8-22(21)28/h5-15,17H,16H2,1-4H3,(H,30,31)

InChI Key

GMXSPYCAVUWFGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.445

Distribution Coefficient, logD

6.445

Water Solubility, LogSw

-5.70

Polar Surface Area

71.021

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8005-7697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7697?
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What is the minimum amount of 8005-7697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7697
  • 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 8005-7697 available by request