C310-3125 Screening compound: (2Z)-N-[3-(butylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-3125 Screening compound: (2Z)-N-[3-(butylsulfanyl)propyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-3125 Screening compound: (2Z)-N-[3-(butylsulfanyl)propyl]-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 C310-3125
(2Z)-N-[3-(butylsulfanyl)propyl]-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

C310-3125

Molecular Formula

C25H27F3N2O2S2 (C25 H27 F3 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H27F3N2O2S2/c1-3-4-13-33-14-5-12-29-23(31)18-8-11-21-20(16-18)30(2)24(32)22(34-21)15-17-6-9-19(10-7-17)25(26,27)28/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,29,31)

InChI Key

WPMVUYWEULJEII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.698

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-5.35

Polar Surface Area

39.633

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C310-3125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-3125?
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What is the minimum amount of C310-3125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-3125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-3125
  • 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 C310-3125 available by request