G001-0734 Screening compound: dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}isophthalate

G001-0734 Screening compound: dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}isophthalate
G001-0734 Screening compound: dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0734
dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}isophthalate

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

G001-0734

Molecular Formula

C20H17FN2O6S (C20 H17 FN2 O6 S)

Compound Name

dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}isophthalate

IUPAC name

13-dimethyl 5-{[5-(4-fluorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]amino}benzene-13-dicarboxylate

SMILES

CC(C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C20H17FN2O6S/c1-11-17(12-4-6-15(21)7-5-12)30(26,27)23-18(11)22-16-9-13(19(24)28-2)8-14(10-16)20(25)29-3/h4-10H,1-3H3,(H,22,23)

InChI Key

SQCDYMCHMIFJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.13

Polar Surface Area

93.192

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G001-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0734?
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What is the minimum amount of G001-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0734
  • 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 G001-0734 available by request