C800-0721 Screening compound: N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

C800-0721 Screening compound: N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
C800-0721 Screening compound: N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0721
N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-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

C800-0721

Molecular Formula

C24H22FN3O2S (C24 H22 FN3 O2 S)

Compound Name

N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

IUPAC name

N-(4-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-34-dihydro-2H-14-benzothiazine-4-carboxamide

SMILES

CC(C1)Sc(cccc2)c2N1C(Nc(cc1)ccc1C(NCc(cccc1)c1F)=O)=O

InChI

InChI=1S/C24H22FN3O2S/c1-16-15-28(21-8-4-5-9-22(21)31-16)24(30)27-19-12-10-17(11-13-19)23(29)26-14-18-6-2-3-7-20(18)25/h2-13,16H,14-15H2,1H3,(H,26,29)(H,27,30)/t16-/m0/s1

InChI Key

GBVUXVVPBLQVAB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14799841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-4.49

Polar Surface Area

48.719

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C800-0721 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C800-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0721?
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What is the minimum amount of C800-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0721
  • 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 C800-0721 available by request