8006-5529 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide

8006-5529 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
8006-5529 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5529
3-[4-(3,5-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide

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

8006-5529

Molecular Formula

C23H21N3O7 (C23 H21 N3 O7)

Compound Name

3-[4-(3,5-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide

IUPAC name

3-[4-(35-dinitrophenoxy)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

COc1ccc(CNC(CCc(cc2)ccc2Oc2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C23H21N3O7/c1-32-20-7-4-17(5-8-20)15-24-23(27)11-6-16-2-9-21(10-3-16)33-22-13-18(25(28)29)12-19(14-22)26(30)31/h2-5,7-10,12-14H,6,11,15H2,1H3,(H,24,27)

InChI Key

JWJTZKJPMOUXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.50

Polar Surface Area

105.493

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8006-5529 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-5529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5529?
Check Price and Availability of 8006-5529, 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 8006-5529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5529
  • 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 8006-5529 available by request