G678-0303 Screening compound: N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide

G678-0303 Screening compound: N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide
G678-0303 Screening compound: N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G678-0303
N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide

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

G678-0303

Molecular Formula

C23H30FN3O4S (C23 H30 FN3 O4 S)

Compound Name

N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-(2-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}ethyl)-2-[4-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(cc1)ccc1OCC(NCCS(N(CC1)CCN1c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C23H30FN3O4S/c1-18(2)19-3-9-22(10-4-19)31-17-23(28)25-11-16-32(29,30)27-14-12-26(13-15-27)21-7-5-20(24)6-8-21/h3-10,18H,11-17H2,1-2H3,(H,25,28)

InChI Key

HHYRRQBPEDTITM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.42

Polar Surface Area

66.916

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G678-0303 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 G678-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G678-0303?
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What is the minimum amount of G678-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G678-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G678-0303
  • 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 G678-0303 available by request