C699-0226 Screening compound: ethyl 4-(4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate

C699-0226 Screening compound: ethyl 4-(4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
C699-0226 Screening compound: ethyl 4-(4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0226
ethyl 4-(4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)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

C699-0226

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

ethyl 4-(4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-benzyl-34-dihydro-2H-14-benzothiazine-6-carbonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc2c1SCCN2Cc1ccccc1)=O)=O

InChI

InChI=1S/C23H27N3O3S/c1-2-29-23(28)25-12-10-24(11-13-25)22(27)19-8-9-21-20(16-19)26(14-15-30-21)17-18-6-4-3-5-7-18/h3-9,16H,2,10-15,17H2,1H3

InChI Key

FEVQNPJBVQBAPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.47

Polar Surface Area

42.230

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C699-0226 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C699-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0226?
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What is the minimum amount of C699-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0226
  • 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 C699-0226 available by request