G001-0735 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

G001-0735 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
G001-0735 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0735
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-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

G001-0735

Molecular Formula

C18H15FN2O4S (C18 H15 FN2 O4 S)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[(23-dihydro-14-benzodioxin-6-yl)amino]-5-(4-fluorophenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc(cc1)cc2c1OCCO2)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C18H15FN2O4S/c1-11-17(12-2-4-13(19)5-3-12)26(22,23)21-18(11)20-14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9H2,1H3,(H,20,21)

InChI Key

CHMAGMCLCILUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.402

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.93

Polar Surface Area

66.668

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G001-0735 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 G001-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0735?
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What is the minimum amount of G001-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0735
  • 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 G001-0735 available by request