C699-0793 Screening compound: 8-{4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

C699-0793 Screening compound: 8-{4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
C699-0793 Screening compound: 8-{4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0793
8-{4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

C699-0793

Molecular Formula

C23H25FN2O3S (C23 H25 FN2 O3 S)

Compound Name

8-{4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)N(CC1)CCC11OCCO1

InChI

InChI=1S/C23H25FN2O3S/c24-19-4-1-17(2-5-19)16-26-11-14-30-21-6-3-18(15-20(21)26)22(27)25-9-7-23(8-10-25)28-12-13-29-23/h1-6,15H,7-14,16H2

InChI Key

VZRPPQDOQAGGDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.31

Polar Surface Area

33.886

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C699-0793 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C699-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0793?
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What is the minimum amount of C699-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0793
  • 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 C699-0793 available by request