2739-0248 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

2739-0248 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
2739-0248 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0248
(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

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

2739-0248

Molecular Formula

C26H22ClN3O5S (C26 H22 ClN3 O5 S)

Compound Name

(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-13-thiazinane-6-carboxamide

SMILES

COc(cc1)ccc1NC(C(CC(N1Cc(cc2)cc3c2OCO3)=O)S/C1=N\c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H22ClN3O5S/c1-33-20-9-7-18(8-10-20)28-25(32)23-13-24(31)30(14-16-2-11-21-22(12-16)35-15-34-21)26(36-23)29-19-5-3-17(27)4-6-19/h2-12,23H,13-15H2,1H3,(H,28,32)/t23-/m0/s1

InChI Key

AZSKIGFMXFBHJR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03916980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.57

Polar Surface Area

72.798

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2739-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0248?
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What is the minimum amount of 2739-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0248
  • 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 2739-0248 available by request