G001-0856 Screening compound: 3-{4-[(4-ethylpiperazino)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0856 Screening compound: 3-{4-[(4-ethylpiperazino)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0856 Screening compound: 3-{4-[(4-ethylpiperazino)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0856
3-{4-[(4-ethylpiperazino)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

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

G001-0856

Molecular Formula

C23H27FN4O2S (C23 H27 FN4 O2 S)

Compound Name

3-{4-[(4-ethylpiperazino)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-({4-[(4-ethylpiperazin-1-yl)methyl]phenyl}amino)-5-(4-fluorophenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CCN1CCN(Cc(cc2)ccc2NC(C(C)=C2c(cc3)ccc3F)=NS2(=O)=O)CC1

InChI

InChI=1S/C23H27FN4O2S/c1-3-27-12-14-28(15-13-27)16-18-4-10-21(11-5-18)25-23-17(2)22(31(29,30)26-23)19-6-8-20(24)9-7-19/h4-11H,3,12-16H2,1-2H3,(H,25,26)

InChI Key

UNPSLCLFTARGJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-3.32

Polar Surface Area

58.114

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with G001-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0856?
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What is the minimum amount of G001-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0856
  • 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 G001-0856 available by request