8005-9381 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide

8005-9381 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
8005-9381 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9381
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]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

8005-9381

Molecular Formula

C19H14F3N5O6 (C19 H14 F3 N5 O6)

Compound Name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide

IUPAC name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H14F3N5O6/c1-11-5-17(27(31)32)24-25(11)10-18(28)23-13-7-14(26(29)30)9-16(8-13)33-15-4-2-3-12(6-15)19(20,21)22/h2-9H,10H2,1H3,(H,23,28)

InChI Key

XGNYHHQBGOBRLH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.18

Polar Surface Area

110.291

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 8005-9381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9381?
Check Price and Availability of 8005-9381, 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 8005-9381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9381
  • 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 8005-9381 available by request