C200-9238 Screening compound: methyl 6,7-difluoro-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

C200-9238 Screening compound: methyl 6,7-difluoro-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
C200-9238 Screening compound: methyl 6,7-difluoro-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9238
methyl 6,7-difluoro-1,1-dioxo-4-phenyl-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

C200-9238

Molecular Formula

C16H11F2NO4S (C16 H11 F2 NO4 S)

Compound Name

methyl 6,7-difluoro-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

IUPAC name

methyl 67-difluoro-11-dioxo-4-phenyl-4H-1lambda64-benzothiazine-2-carboxylate

SMILES

COC(C1=CN(c2ccccc2)c(cc(c(F)c2)F)c2S1(=O)=O)=O

InChI

InChI=1S/C16H11F2NO4S/c1-23-16(20)15-9-19(10-5-3-2-4-6-10)13-7-11(17)12(18)8-14(13)24(15,21)22/h2-9H,1H3

InChI Key

LRFSZCKCTROVQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.75

Polar Surface Area

52.124

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C200-9238 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-9238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9238?
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What is the minimum amount of C200-9238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9238
  • 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 C200-9238 available by request