0868-0280 Screening compound: N-(4-{3-[4-(2,4-dinitrobenzamido)phenoxy]phenoxy}phenyl)-2,4-dinitrobenzamide

0868-0280 Screening compound: N-(4-{3-[4-(2,4-dinitrobenzamido)phenoxy]phenoxy}phenyl)-2,4-dinitrobenzamide
0868-0280 Screening compound: N-(4-{3-[4-(2,4-dinitrobenzamido)phenoxy]phenoxy}phenyl)-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0280
N-(4-{3-[4-(2,4-dinitrobenzamido)phenoxy]phenoxy}phenyl)-2,4-dinitrobenzamide

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

0868-0280

Molecular Formula

C32H20N6O12 (C32 H20 N6 O12)

Compound Name

N-(4-{3-[4-(2,4-dinitrobenzamido)phenoxy]phenoxy}phenyl)-2,4-dinitrobenzamide

IUPAC name

N-(4-{3-[4-(24-dinitrobenzamido)phenoxy]phenoxy}phenyl)-24-dinitrobenzamide

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(Nc(cc1)ccc1Oc1cccc(Oc(cc2)ccc2NC(c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)c1)=O)=O

InChI

InChI=1S/C32H20N6O12/c39-31(27-14-8-21(35(41)42)16-29(27)37(45)46)33-19-4-10-23(11-5-19)49-25-2-1-3-26(18-25)50-24-12-6-20(7-13-24)34-32(40)28-15-9-22(36(43)44)17-30(28)38(47)48/h1-18H,(H,33,39)(H,34,40)

InChI Key

UROHKYWOXFIFJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00638929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

680.54

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

6.770

Distribution Coefficient, logD

6.733

Water Solubility, LogSw

-6.17

Polar Surface Area

192.841

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0868-0280 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0868-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0280?
Check Price and Availability of 0868-0280, 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 0868-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0280
  • 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 0868-0280 available by request