C464-3050 Screening compound: N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C464-3050 Screening compound: N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C464-3050 Screening compound: N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-3050
N-{3-[4-(4-nitrophenyl)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

C464-3050

Molecular Formula

C22H25N5O6S (C22 H25 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CCNS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C22H25N5O6S/c28-21-8-1-16-15-19(6-7-20(16)24-21)34(32,33)23-10-9-22(29)26-13-11-25(12-14-26)17-2-4-18(5-3-17)27(30)31/h2-7,15,23H,1,8-14H2,(H,24,28)

InChI Key

WRNDUQWISLYJIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.534

Distribution Coefficient, logD

1.533

Water Solubility, LogSw

-2.57

Polar Surface Area

119.693

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C464-3050 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C464-3050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-3050?
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What is the minimum amount of C464-3050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-3050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-3050
  • 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 C464-3050 available by request