4514-0566 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide

4514-0566 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide
4514-0566 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0566
(2Z)-N-(4-bromophenyl)-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

4514-0566

Molecular Formula

C23H18BrN3O2S (C23 H18 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC(N1c2ccccc2)=O)S/C1=N\c1ccccc1)Nc(cc1)ccc1Br

InChI

InChI=1S/C23H18BrN3O2S/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

YNIIXFKTPVZUED-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03057598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.38

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

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.79

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

4514-0566 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4514-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0566?
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What is the minimum amount of 4514-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0566
  • 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 4514-0566 available by request