4514-0567 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide

4514-0567 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
4514-0567 Screening compound: (2Z)-N-(4-bromophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0567
(2Z)-N-(4-bromophenyl)-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

4514-0567

Molecular Formula

C17H14BrN3O2S (C17 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC(N1)=O)S/C1=N\c1ccccc1)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H14BrN3O2S/c18-11-6-8-13(9-7-11)19-16(23)14-10-15(22)21-17(24-14)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,23)(H,20,21,22)/t14-/m0/s1

InChI Key

HZZXBKZULHHEDR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03057867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.51

Polar Surface Area

56.093

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.76

4514-0567 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4514-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0567?
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What is the minimum amount of 4514-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0567
  • 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 4514-0567 available by request