C699-0784 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

C699-0784 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine
C699-0784 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0784
4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

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

C699-0784

Molecular Formula

C20H21FN2O2S (C20 H21 FN2 O2 S)

Compound Name

4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

IUPAC name

4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-34-dihydro-2H-14-benzothiazine

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)N1CCOCC1

InChI

InChI=1S/C20H21FN2O2S/c21-17-4-1-15(2-5-17)14-23-9-12-26-19-6-3-16(13-18(19)23)20(24)22-7-10-25-11-8-22/h1-6,13H,7-12,14H2

InChI Key

HBYLTZQVGSDKHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-2.97

Polar Surface Area

27.358

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C699-0784 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C699-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0784?
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What is the minimum amount of C699-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0784
  • 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 C699-0784 available by request