C312-1624 Screening compound: N-cycloheptyl-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-1624 Screening compound: N-cycloheptyl-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-1624 Screening compound: N-cycloheptyl-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 C312-1624
N-cycloheptyl-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

C312-1624

Molecular Formula

C25H25F3N2O2S (C25 H25 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O)NC1CCCCCC1

InChI

InChI=1S/C25H25F3N2O2S/c26-25(27,28)18-13-11-17(12-14-18)15-22-24(32)30(20-9-5-6-10-21(20)33-22)16-23(31)29-19-7-3-1-2-4-8-19/h5-6,9-15,19H,1-4,7-8,16H2,(H,29,31)

InChI Key

VUWYYFNMSCAZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.218

Distribution Coefficient, logD

6.218

Water Solubility, LogSw

-5.92

Polar Surface Area

39.597

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C312-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1624?
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What is the minimum amount of C312-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1624
  • 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 C312-1624 available by request