2740-0022 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide

2740-0022 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
2740-0022 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2740-0022
(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-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

2740-0022

Molecular Formula

C25H20FN3O4S (C25 H20 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC(N1Cc(cc2)cc3c2OCO3)=O)S/C1=N\c1ccccc1)Nc(cc1)ccc1F

InChI

InChI=1S/C25H20FN3O4S/c26-17-7-9-19(10-8-17)27-24(31)22-13-23(30)29(25(34-22)28-18-4-2-1-3-5-18)14-16-6-11-20-21(12-16)33-15-32-20/h1-12,22H,13-15H2,(H,27,31)/t22-/m0/s1

InChI Key

MOHSMNLQXQUHLS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03558247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.39

Polar Surface Area

65.254

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 2740-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2740-0022?
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What is the minimum amount of 2740-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2740-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2740-0022
  • 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 2740-0022 available by request