V017-5414 Screening compound: 1-(4-{5-[(4-ethylpiperazino)sulfonyl]-2-methoxyphenyl}piperazino)-2,2,3,3-tetrafluoro-1-propanone

V017-5414 Screening compound: 1-(4-{5-[(4-ethylpiperazino)sulfonyl]-2-methoxyphenyl}piperazino)-2,2,3,3-tetrafluoro-1-propanone
V017-5414 Screening compound: 1-(4-{5-[(4-ethylpiperazino)sulfonyl]-2-methoxyphenyl}piperazino)-2,2,3,3-tetrafluoro-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5414
1-(4-{5-[(4-ethylpiperazino)sulfonyl]-2-methoxyphenyl}piperazino)-2,2,3,3-tetrafluoro-1-propanone

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

V017-5414

Molecular Formula

C20H28F4N4O4S (C20 H28 F4 N4 O4 S)

Compound Name

1-(4-{5-[(4-ethylpiperazino)sulfonyl]-2-methoxyphenyl}piperazino)-2,2,3,3-tetrafluoro-1-propanone

IUPAC name

1-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2233-tetrafluoropropan-1-one

SMILES

CCN(CC1)CCN1S(c(cc1)cc(N(CC2)CCN2C(C(C(F)F)(F)F)=O)c1OC)(=O)=O

InChI

InChI=1S/C20H28F4N4O4S/c1-3-25-6-12-28(13-7-25)33(30,31)15-4-5-17(32-2)16(14-15)26-8-10-27(11-9-26)19(29)20(23,24)18(21)22/h4-5,14,18H,3,6-13H2,1-2H3

InChI Key

DCWJSPSOCYHBIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.72

Polar Surface Area

62.996

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

V017-5414 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-5414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5414?
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What is the minimum amount of V017-5414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5414
  • 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 V017-5414 available by request