C312-0288 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-0288 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-0288 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0288
(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-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

C312-0288

Molecular Formula

C26H23ClN4O2S (C26 H23 ClN4 O2 S)

Compound Name

(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c2cccc(Cl)c2)C1=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C26H23ClN4O2S/c27-20-7-5-6-19(16-20)17-23-26(33)31(21-8-1-2-9-22(21)34-23)18-25(32)30-14-12-29(13-15-30)24-10-3-4-11-28-24/h1-11,16-17H,12-15,18H2

InChI Key

KNPXHGKVZQNUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.86

Polar Surface Area

43.234

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C312-0288 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C312-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C312-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0288
  • 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 C312-0288 available by request