C310-2368 Screening compound: ethyl 1-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

C310-2368 Screening compound: ethyl 1-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate
C310-2368 Screening compound: ethyl 1-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-2368
ethyl 1-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-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

C310-2368

Molecular Formula

C27H30N2O6S (C27 H30 N2 O6 S)

Compound Name

ethyl 1-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(2Z)-2-[(34-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c(cc1)cc(N(C)C2=O)c1S/C2=C\c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C27H30N2O6S/c1-5-35-27(32)19-7-6-12-29(16-19)25(30)18-9-11-23-20(15-18)28(2)26(31)24(36-23)14-17-8-10-21(33-3)22(13-17)34-4/h8-11,13-15,19H,5-7,12,16H2,1-4H3/t19-/m0/s1

InChI Key

RVWYDQOPHWGOJE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14747428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.50

Polar Surface Area

67.703

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C310-2368 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 C310-2368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-2368?
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What is the minimum amount of C310-2368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2368
  • 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 C310-2368 available by request