C800-0726 Screening compound: N-(4-{[(2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

C800-0726 Screening compound: N-(4-{[(2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
C800-0726 Screening compound: N-(4-{[(2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0726
N-(4-{[(2-methoxyphenyl)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

C800-0726

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Sc(cccc2)c2N1C(Nc(cc1)ccc1C(NCc(cccc1)c1OC)=O)=O

InChI

InChI=1S/C25H25N3O3S/c1-17-16-28(21-8-4-6-10-23(21)32-17)25(30)27-20-13-11-18(12-14-20)24(29)26-15-19-7-3-5-9-22(19)31-2/h3-14,17H,15-16H2,1-2H3,(H,26,29)(H,27,30)/t17-/m0/s1

InChI Key

IXWPZTAFGVBCEI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14799843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.820

Distribution Coefficient, logD

4.820

Water Solubility, LogSw

-4.48

Polar Surface Area

56.349

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C800-0726 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C800-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0726?
Check Price and Availability of C800-0726, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C800-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0726
  • 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 C800-0726 available by request