C166-0257 Screening compound: N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

C166-0257 Screening compound: N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide
C166-0257 Screening compound: N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0257
N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

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

C166-0257

Molecular Formula

C25H25N3O5S2 (C25 H25 N3 O5 S2)

Compound Name

N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

IUPAC name

N-{1-[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

SMILES

O=C(C(Cc1ccccc1)NS(c1cccs1)(=O)=O)N(CC(N1CCc2ccccc2)=O)CC1=O

InChI

InChI=1S/C25H25N3O5S2/c29-22-17-27(18-23(30)28(22)14-13-19-8-3-1-4-9-19)25(31)21(16-20-10-5-2-6-11-20)26-35(32,33)24-12-7-15-34-24/h1-12,15,21,26H,13-14,16-18H2/t21-/m0/s1

InChI Key

YYUVHPGWOFJEGK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14723520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.69

Polar Surface Area

88.874

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C166-0257 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C166-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0257?
Check Price and Availability of C166-0257, 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 C166-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0257
  • 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 C166-0257 available by request