4514-0490 Screening compound: (2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide

4514-0490 Screening compound: (2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide
4514-0490 Screening compound: (2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0490
(2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-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

4514-0490

Molecular Formula

C23H18FN3O2S (C23 H18 FN3 O2 S)

Compound Name

(2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-N-(4-fluorophenyl)-4-oxo-3-phenyl-2-(phenylimino)-13-thiazinane-6-carboxamide

SMILES

O=C(C(CC(N1c2ccccc2)=O)S/C1=N\c1ccccc1)Nc(cc1)ccc1F

InChI

InChI=1S/C23H18FN3O2S/c24-16-11-13-18(14-12-16)25-22(29)20-15-21(28)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,29)/t20-/m0/s1

InChI Key

FAYIEUBOGUIBAG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03057402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.23

Polar Surface Area

47.527

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 4514-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0490?
Check Price and Availability of 4514-0490, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4514-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0490
  • 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 4514-0490 available by request