C312-1669 Screening compound: (2E)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-1669 Screening compound: (2E)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-1669 Screening compound: (2E)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1669
(2E)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

C312-1669

Molecular Formula

C22H19F3N2O2S (C22 H19 F3 N2 O2 S)

Compound Name

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

IUPAC name

(2E)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O)N1CCCC1

InChI

InChI=1S/C22H19F3N2O2S/c23-22(24,25)16-9-7-15(8-10-16)13-19-21(29)27(14-20(28)26-11-3-4-12-26)17-5-1-2-6-18(17)30-19/h1-2,5-10,13H,3-4,11-12,14H2

InChI Key

YJGDLHAVVIWUHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.60

Polar Surface Area

31.828

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C312-1669 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C312-1669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1669?
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What is the minimum amount of C312-1669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1669
  • 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 C312-1669 available by request