C306-0201 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

C306-0201 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
C306-0201 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0201
N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

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

C306-0201

Molecular Formula

C30H32N2O3S (C30 H32 N2 O3 S)

Compound Name

N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-4-[(4-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

CCCCOc1ccc(C(C)NC(/C=C2\Sc(cccc3)c3N(Cc3ccc(C)cc3)C2=O)=O)cc1

InChI

InChI=1S/C30H32N2O3S/c1-4-5-18-35-25-16-14-24(15-17-25)22(3)31-29(33)19-28-30(34)32(20-23-12-10-21(2)11-13-23)26-8-6-7-9-27(26)36-28/h6-17,19,22H,4-5,18,20H2,1-3H3,(H,31,33)/t22-/m0/s1

InChI Key

IBQAWAYDVCWUBS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14746800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.843

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-5.63

Polar Surface Area

46.122

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

C306-0201 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 C306-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0201?
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What is the minimum amount of C306-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0201
  • 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 C306-0201 available by request