G917-0104 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

G917-0104 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
G917-0104 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G917-0104
methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

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

G917-0104

Molecular Formula

C23H18FNO5S (C23 H18 FNO5 S)

Compound Name

methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

IUPAC name

methyl 4-[4-(benzyloxy)phenyl]-6-fluoro-11-dioxo-4H-1lambda64-benzothiazine-2-carboxylate

SMILES

COC(C1=CN(c(cc2)ccc2OCc2ccccc2)c(cc(cc2)F)c2S1(=O)=O)=O

InChI

InChI=1S/C23H18FNO5S/c1-29-23(26)22-14-25(20-13-17(24)7-12-21(20)31(22,27)28)18-8-10-19(11-9-18)30-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3

InChI Key

FMDDSCFIMKFKJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18788327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-4.02

Polar Surface Area

59.352

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G917-0104 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G917-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G917-0104?
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What is the minimum amount of G917-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G917-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G917-0104
  • 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 G917-0104 available by request