2369-0781 Screening compound: 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

2369-0781 Screening compound: 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
2369-0781 Screening compound: 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2369-0781
3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

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

2369-0781

Molecular Formula

C12H14F3N3O2 (C12 H14 F3 N3 O2)

Compound Name

3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

IUPAC name

3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

SMILES

CC(C1)NCCN1c(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H14F3N3O2/c1-8-7-17(5-4-16-8)10-3-2-9(12(13,14)15)6-11(10)18(19)20/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m0/s1

InChI Key

XPYGLMJMRRVFAU-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD01603901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

0.011

Water Solubility, LogSw

-2.29

Polar Surface Area

48.015

Acid Dissociation Constant (pKa)

26.46

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 2369-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2369-0781?
Check Price and Availability of 2369-0781, 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 2369-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2369-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2369-0781
  • 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 2369-0781 available by request