4299-1899 Screening compound: 1-(naphthalene-2-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

4299-1899 Screening compound: 1-(naphthalene-2-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
4299-1899 Screening compound: 1-(naphthalene-2-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-1899
1-(naphthalene-2-sulfonyl)-4-[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

4299-1899

Molecular Formula

C21H18F3N3O4S (C21 H18 F3 N3 O4 S)

Compound Name

1-(naphthalene-2-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-(naphthalene-2-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCN1S(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C21H18F3N3O4S/c22-21(23,24)17-6-8-19(20(14-17)27(28)29)25-9-11-26(12-10-25)32(30,31)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2

InChI Key

GCVAQUZPSUFJLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-5.61

Polar Surface Area

67.718

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4299-1899 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4299-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-1899?
Check Price and Availability of 4299-1899, 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 4299-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-1899
  • 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 4299-1899 available by request