0848-0228 Screening compound: 3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}benzamide

0848-0228 Screening compound: 3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}benzamide
0848-0228 Screening compound: 3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0848-0228
3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}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

0848-0228

Molecular Formula

C18H18N4O6 (C18 H18 N4 O6)

Compound Name

3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}benzamide

IUPAC name

3-nitro-N-{4-[(3-nitrophenyl)formamido]butyl}benzamide

SMILES

[O-][N+](c1cccc(C(NCCCCNC(c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O

InChI

InChI=1S/C18H18N4O6/c23-17(13-5-3-7-15(11-13)21(25)26)19-9-1-2-10-20-18(24)14-6-4-8-16(12-14)22(27)28/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,24)

InChI Key

ICSJKSIZTQWPLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

1.879

Water Solubility, LogSw

-2.45

Polar Surface Area

115.783

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0848-0228 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 0848-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0848-0228?
Check Price and Availability of 0848-0228, 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 0848-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0848-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0848-0228
  • 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 0848-0228 available by request