4514-0423 Screening compound: 4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

4514-0423 Screening compound: 4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid
4514-0423 Screening compound: 4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0423
4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

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

4514-0423

Molecular Formula

C25H20FN3O4S (C25 H20 FN3 O4 S)

Compound Name

4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-13-thiazinane-6-amido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(C(CC(N1Cc2ccccc2)=O)S/C1=N\c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H20FN3O4S/c26-18-8-12-20(13-9-18)28-25-29(15-16-4-2-1-3-5-16)22(30)14-21(34-25)23(31)27-19-10-6-17(7-11-19)24(32)33/h1-13,21H,14-15H2,(H,27,31)(H,32,33)/t21-/m0/s1

InChI Key

VJJMTOMWCLOTER-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02144872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-4.42

Polar Surface Area

76.547

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 4514-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0423?
Check Price and Availability of 4514-0423, 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 4514-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0423
  • 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 4514-0423 available by request