C700-0662 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0662 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0662 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0662
(2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

C700-0662

Molecular Formula

C25H21ClN2O2S (C25 H21 ClN2 O2 S)

Compound Name

(2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1cccc(/C=C2/Sc(ccc(C(NCCc(cc3)ccc3Cl)=O)c3)c3NC2=O)c1

InChI

InChI=1S/C25H21ClN2O2S/c1-16-3-2-4-18(13-16)14-23-25(30)28-21-15-19(7-10-22(21)31-23)24(29)27-12-11-17-5-8-20(26)9-6-17/h2-10,13-15H,11-12H2,1H3,(H,27,29)(H,28,30)

InChI Key

VGNAYTALYBFPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.579

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-6.00

Polar Surface Area

49.099

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C700-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0662?
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What is the minimum amount of C700-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0662
  • 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 C700-0662 available by request