C310-3069 Screening compound: (2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-3069 Screening compound: (2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-3069 Screening compound: (2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-3069
(2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-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

C310-3069

Molecular Formula

C26H21F3N2O3S (C26 H21 F3 N2 O3 S)

Compound Name

(2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CN(c(cc(cc1)C(NCc(cccc2)c2OC)=O)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O

InChI

InChI=1S/C26H21F3N2O3S/c1-31-20-14-17(24(32)30-15-18-5-3-4-6-21(18)34-2)9-12-22(20)35-23(25(31)33)13-16-7-10-19(11-8-16)26(27,28)29/h3-14H,15H2,1-2H3,(H,30,32)

InChI Key

DQDVTTYAJNBRJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.48

Polar Surface Area

47.151

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C310-3069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-3069?
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What is the minimum amount of C310-3069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-3069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-3069
  • 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 C310-3069 available by request