8005-6445 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-iodobenzoate

8005-6445 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-iodobenzoate
8005-6445 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6445
4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 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

8005-6445

Molecular Formula

C29H23IN2O5 (C29 H23 IN2 O5)

Compound Name

4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-iodobenzoate

IUPAC name

4-[(E)-[(2-hydroxy-22-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-iodobenzoate

SMILES

COc(cc(/C=N/NC(C(c1ccccc1)(c1ccccc1)O)=O)cc1)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C29H23IN2O5/c1-36-26-18-20(16-17-25(26)37-27(33)23-14-8-9-15-24(23)30)19-31-32-28(34)29(35,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,35H,1H3,(H,32,34)

InChI Key

GQYXPNPGCRBOMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.32

Polar Surface Area

78.446

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

8005-6445 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-6445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6445?
Check Price and Availability of 8005-6445, 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 8005-6445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6445
  • 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 8005-6445 available by request