C201-0526 Screening compound: N~3~-(4-ethoxyphenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

C201-0526 Screening compound: N~3~-(4-ethoxyphenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
C201-0526 Screening compound: N~3~-(4-ethoxyphenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0526
N~3~-(4-ethoxyphenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

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

C201-0526

Molecular Formula

C16H16FN3O4S (C16 H16 FN3 O4 S)

Compound Name

N~3~-(4-ethoxyphenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-6-fluoro-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(Nc1c2ccc(F)c1)NS2(=O)=O)=O

InChI

InChI=1S/C16H16FN3O4S/c1-2-24-12-6-4-11(5-7-12)18-16(21)15-19-13-9-10(17)3-8-14(13)25(22,23)20-15/h3-9,15,19-20H,2H2,1H3,(H,18,21)/t15-/m0/s1

InChI Key

YIDPORQBULGUDF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26962820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.541

Distribution Coefficient, logD

1.541

Water Solubility, LogSw

-2.55

Polar Surface Area

82.587

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

C201-0526 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C201-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0526?
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What is the minimum amount of C201-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0526
  • 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 C201-0526 available by request