5593-2542 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

5593-2542 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
5593-2542 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2542
(2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-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

5593-2542

Molecular Formula

C25H20ClF2N3O2S (C25 H20 ClF2 N3 O2 S)

Compound Name

(2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-[(4-chlorophenyl)imino]-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-13-thiazinane-6-carboxamide

SMILES

O=C(C(CC(N1CCc(cc2)ccc2F)=O)S/C1=N\c(cc1)ccc1Cl)Nc(cc1)ccc1F

InChI

InChI=1S/C25H20ClF2N3O2S/c26-17-3-9-21(10-4-17)30-25-31(14-13-16-1-5-18(27)6-2-16)23(32)15-22(34-25)24(33)29-20-11-7-19(28)8-12-20/h1-12,22H,13-15H2,(H,29,33)/t22-/m0/s1

InChI Key

BUFNANQUHOCUTI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03487403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.470

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.96

Polar Surface Area

48.117

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 5593-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2542?
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What is the minimum amount of 5593-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2542
  • 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 5593-2542 available by request