C312-1645 Screening compound: N-(3-ethoxypropyl)-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-1645 Screening compound: N-(3-ethoxypropyl)-2-[(2E)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-1645 Screening compound: N-(3-ethoxypropyl)-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 C312-1645
N-(3-ethoxypropyl)-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

C312-1645

Molecular Formula

C23H23F3N2O3S (C23 H23 F3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H23F3N2O3S/c1-2-31-13-5-12-27-21(29)15-28-18-6-3-4-7-19(18)32-20(22(28)30)14-16-8-10-17(11-9-16)23(24,25)26/h3-4,6-11,14H,2,5,12-13,15H2,1H3,(H,27,29)

InChI Key

PJDZZTVIOGYJEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.51

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

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.19

Polar Surface Area

47.631

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C312-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1645?
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What is the minimum amount of C312-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1645
  • 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 C312-1645 available by request