0987-0207 Screening compound: N-[4-(2,4,6-trinitrophenoxy)phenyl]acetamide

0987-0207 Screening compound: N-[4-(2,4,6-trinitrophenoxy)phenyl]acetamide
0987-0207 Screening compound: N-[4-(2,4,6-trinitrophenoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0987-0207
N-[4-(2,4,6-trinitrophenoxy)phenyl]acetamide

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

0987-0207

Molecular Formula

C14H10N4O8 (C14 H10 N4 O8)

Compound Name

N-[4-(2,4,6-trinitrophenoxy)phenyl]acetamide

IUPAC name

N-[4-(246-trinitrophenoxy)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1Oc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C14H10N4O8/c1-8(19)15-9-2-4-11(5-3-9)26-14-12(17(22)23)6-10(16(20)21)7-13(14)18(24)25/h2-7H,1H3,(H,15,19)

InChI Key

IBYCYAVPMZWFFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.26

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-3.10

Polar Surface Area

129.964

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0987-0207 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0987-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0987-0207?
Check Price and Availability of 0987-0207, 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 0987-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0987-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0987-0207
  • 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 0987-0207 available by request