C800-0719 Screening compound: 2-methyl-N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

C800-0719 Screening compound: 2-methyl-N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
C800-0719 Screening compound: 2-methyl-N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0719
2-methyl-N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-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

C800-0719

Molecular Formula

C25H25N3O2S2 (C25 H25 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Sc(cccc2)c2N1C(Nc(cc1)ccc1C(NCc(cc1)ccc1SC)=O)=O

InChI

InChI=1S/C25H25N3O2S2/c1-17-16-28(22-5-3-4-6-23(22)32-17)25(30)27-20-11-9-19(10-12-20)24(29)26-15-18-7-13-21(31-2)14-8-18/h3-14,17H,15-16H2,1-2H3,(H,26,29)(H,27,30)/t17-/m0/s1

InChI Key

HPZBTHKWRHWUGX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14799839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.25

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

20.00

References: we are preparing a list of scientific research reports with C800-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0719?
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What is the minimum amount of C800-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0719
  • 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 C800-0719 available by request