8005-7685 Screening compound: 4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl benzoate

8005-7685 Screening compound: 4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl benzoate
8005-7685 Screening compound: 4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7685
4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 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

8005-7685

Molecular Formula

C35H34N4O5 (C35 H34 N4 O5)

Compound Name

4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl benzoate

IUPAC name

4-[(E)-{[(2E)-3-[4-(diethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl benzoate

SMILES

CCN(CC)c1ccc(/C=C(\C(N/N=C/c(cc2)cc(OC)c2OC(c2ccccc2)=O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C35H34N4O5/c1-4-39(5-2)29-19-16-25(17-20-29)22-30(37-33(40)27-12-8-6-9-13-27)34(41)38-36-24-26-18-21-31(32(23-26)43-3)44-35(42)28-14-10-7-11-15-28/h6-24H,4-5H2,1-3H3,(H,37,40)(H,38,41)

InChI Key

YDUJTLYKBJIENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.026

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-5.60

Polar Surface Area

88.310

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8005-7685 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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 8005-7685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7685?
Check Price and Availability of 8005-7685, 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 8005-7685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7685
  • 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 8005-7685 available by request