C312-0631 Screening compound: (2E)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-0631 Screening compound: (2E)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-0631 Screening compound: (2E)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0631
(2E)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)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

C312-0631

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

(2E)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-2-[(4-methylphenyl)methylidene]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1ccc(/C=C2/Sc(cccc3)c3N(CC(N(CC3)CCC33OCCO3)=O)C2=O)cc1

InChI

InChI=1S/C25H26N2O4S/c1-18-6-8-19(9-7-18)16-22-24(29)27(20-4-2-3-5-21(20)32-22)17-23(28)26-12-10-25(11-13-26)30-14-15-31-25/h2-9,16H,10-15,17H2,1H3

InChI Key

BYKTYCYKFMDUAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.70

Polar Surface Area

45.899

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C312-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0631?
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What is the minimum amount of C312-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0631
  • 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 C312-0631 available by request