3788-0936 Screening compound: ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate

3788-0936 Screening compound: ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate
3788-0936 Screening compound: ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0936
ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate

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

3788-0936

Molecular Formula

C22H24F3N3O5S (C22 H24 F3 N3 O5 S)

Compound Name

ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(c1cc(C(F)(F)F)ccc1)S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H24F3N3O5S/c1-2-33-21(30)27-13-11-26(12-14-27)20(29)16-28(34(31,32)19-9-4-3-5-10-19)18-8-6-7-17(15-18)22(23,24)25/h3-10,15H,2,11-14,16H2,1H3

InChI Key

ZSAUSAGZRFOSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.55

Polar Surface Area

70.965

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3788-0936 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3788-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0936?
Check Price and Availability of 3788-0936, 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 3788-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0936
  • 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 3788-0936 available by request