C464-3123 Screening compound: 2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C464-3123 Screening compound: 2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C464-3123 Screening compound: 2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-3123
2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-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

C464-3123

Molecular Formula

C23H25F3N4O4S (C23 H25 F3 N4 O4 S)

Compound Name

2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

2-oxo-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(CCNS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H25F3N4O4S/c24-23(25,26)17-2-1-3-18(15-17)29-10-12-30(13-11-29)22(32)8-9-27-35(33,34)19-5-6-20-16(14-19)4-7-21(31)28-20/h1-3,5-6,14-15,27H,4,7-13H2,(H,28,31)

InChI Key

HNCCSJPZMHCQAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-3.10

Polar Surface Area

86.312

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C464-3123 in Drug Discovery

Included in Screening Libraries

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 C464-3123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-3123?
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What is the minimum amount of C464-3123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-3123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-3123
  • 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 C464-3123 available by request