G001-0705 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0705 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0705 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0705
3-[(4-fluorobenzyl)amino]-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

G001-0705

Molecular Formula

C17H14F2N2O2S (C17 H14 F2 N2 O2 S)

Compound Name

3-[(4-fluorobenzyl)amino]-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

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

SMILES

CC(C(NCc(cc1)ccc1F)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C17H14F2N2O2S/c1-11-16(13-4-8-15(19)9-5-13)24(22,23)21-17(11)20-10-12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,20,21)

InChI Key

VQGSJCMRWJFGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.38

Polar Surface Area

52.166

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with G001-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0705?
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What is the minimum amount of G001-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0705
  • 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 G001-0705 available by request