C312-0275 Screening compound: ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate

C312-0275 Screening compound: ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate
C312-0275 Screening compound: ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0275
ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate

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

C312-0275

Molecular Formula

C24H24ClN3O4S (C24 H24 ClN3 O4 S)

Compound Name

ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(c(cccc1)c1S/C1=C/c2cccc(Cl)c2)C1=O)=O)=O

InChI

InChI=1S/C24H24ClN3O4S/c1-2-32-24(31)27-12-10-26(11-13-27)22(29)16-28-19-8-3-4-9-20(19)33-21(23(28)30)15-17-6-5-7-18(25)14-17/h3-9,14-15H,2,10-13,16H2,1H3

InChI Key

OEOGXIIZGCYSTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.28

Polar Surface Area

54.242

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C312-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C312-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0275?
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What is the minimum amount of C312-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0275
  • 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 C312-0275 available by request