C700-0645 Screening compound: (2E)-2-[(3-methylphenyl)methylidene]-3-oxo-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0645 Screening compound: (2E)-2-[(3-methylphenyl)methylidene]-3-oxo-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0645 Screening compound: (2E)-2-[(3-methylphenyl)methylidene]-3-oxo-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0645
(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-N-(4-phenylbutan-2-yl)-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

C700-0645

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(c(cc1)cc(NC2=O)c1S/C2=C/c1cc(C)ccc1)=O

InChI

InChI=1S/C27H26N2O2S/c1-18-7-6-10-21(15-18)16-25-27(31)29-23-17-22(13-14-24(23)32-25)26(30)28-19(2)11-12-20-8-4-3-5-9-20/h3-10,13-17,19H,11-12H2,1-2H3,(H,28,30)(H,29,31)/t19-/m0/s1

InChI Key

VFCLEKPISQOCAY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14784953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.809

Water Solubility, LogSw

-5.53

Polar Surface Area

48.699

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C700-0645 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C700-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0645?
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What is the minimum amount of C700-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0645
  • 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 C700-0645 available by request