Y500-5611 Screening compound: 2-nitro-N-{7-[(2-nitrobenzoyl)amino]heptyl}benzamide

Y500-5611 Screening compound: 2-nitro-N-{7-[(2-nitrobenzoyl)amino]heptyl}benzamide
Y500-5611 Screening compound: 2-nitro-N-{7-[(2-nitrobenzoyl)amino]heptyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-5611
2-nitro-N-{7-[(2-nitrobenzoyl)amino]heptyl}benzamide

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

Y500-5611

Molecular Formula

C21H24N4O6 (C21 H24 N4 O6)

Compound Name

2-nitro-N-{7-[(2-nitrobenzoyl)amino]heptyl}benzamide

IUPAC name

2-nitro-N-{7-[(2-nitrophenyl)formamido]heptyl}benzamide

SMILES

[O-][N+](c(cccc1)c1C(NCCCCCCCNC(c(cccc1)c1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C21H24N4O6/c26-20(16-10-4-6-12-18(16)24(28)29)22-14-8-2-1-3-9-15-23-21(27)17-11-5-7-13-19(17)25(30)31/h4-7,10-13H,1-3,8-9,14-15H2,(H,22,26)(H,23,27)

InChI Key

MJRSQLVRGSXJCA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.97

Polar Surface Area

115.181

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y500-5611 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 Y500-5611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5611?
Check Price and Availability of Y500-5611, 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 Y500-5611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5611
  • 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 Y500-5611 available by request