C312-1634 Screening compound: N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-1634 Screening compound: N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-1634 Screening compound: N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1634
N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]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

C312-1634

Molecular Formula

C24H26F3N3O2S (C24 H26 F3 N3 O2 S)

Compound Name

N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[2-(diethylamino)ethyl]-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCN(CC)CCNC(CN(c(cccc1)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C24H26F3N3O2S/c1-3-29(4-2)14-13-28-22(31)16-30-19-7-5-6-8-20(19)33-21(23(30)32)15-17-9-11-18(12-10-17)24(25,26)27/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,31)

InChI Key

XIRSKRZCXYRXRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.55

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

4.559

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-4.15

Polar Surface Area

43.065

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C312-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1634
  • 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 C312-1634 available by request