C464-3228 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C464-3228 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C464-3228 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-3228
N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-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

C464-3228

Molecular Formula

C24H26N4O6S (C24 H26 N4 O6 S)

Compound Name

N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-{3-[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(CCNS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N(CC(N1CCc2ccccc2)=O)CC1=O

InChI

InChI=1S/C24H26N4O6S/c29-21-9-6-18-14-19(7-8-20(18)26-21)35(33,34)25-12-10-22(30)27-15-23(31)28(24(32)16-27)13-11-17-4-2-1-3-5-17/h1-5,7-8,14,25H,6,9-13,15-16H2,(H,26,29)

InChI Key

ZFUKYHZMJRSAKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.184

Distribution Coefficient, logD

0.182

Water Solubility, LogSw

-2.51

Polar Surface Area

112.419

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C464-3228 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C464-3228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-3228?
Check Price and Availability of C464-3228, 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 C464-3228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-3228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-3228
  • 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 C464-3228 available by request