C310-3064 Screening compound: (2Z)-4-methyl-N-(3-methylbutyl)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-3064 Screening compound: (2Z)-4-methyl-N-(3-methylbutyl)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-3064 Screening compound: (2Z)-4-methyl-N-(3-methylbutyl)-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 C310-3064
(2Z)-4-methyl-N-(3-methylbutyl)-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

C310-3064

Molecular Formula

C23H23F3N2O2S (C23 H23 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c(cc1)cc(N(C)C2=O)c1S/C2=C\c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C23H23F3N2O2S/c1-14(2)10-11-27-21(29)16-6-9-19-18(13-16)28(3)22(30)20(31-19)12-15-4-7-17(8-5-15)23(24,25)26/h4-9,12-14H,10-11H2,1-3H3,(H,27,29)

InChI Key

UTDGRGSQYFEDGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.07

Polar Surface Area

39.633

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C310-3064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-3064?
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What is the minimum amount of C310-3064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-3064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-3064
  • 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 C310-3064 available by request