4514-2059 Screening compound: (2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

4514-2059 Screening compound: (2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
4514-2059 Screening compound: (2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-2059
(2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-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

4514-2059

Molecular Formula

C26H33N3O4S (C26 H33 N3 O4 S)

Compound Name

(2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-ethyl-N-[4-(hexyloxy)phenyl]-2-[(3-methoxyphenyl)imino]-4-oxo-13-thiazinane-6-carboxamide

SMILES

CCCCCCOc(cc1)ccc1NC(C(CC(N1CC)=O)S/C1=N\c1cc(OC)ccc1)=O

InChI

InChI=1S/C26H33N3O4S/c1-4-6-7-8-16-33-21-14-12-19(13-15-21)27-25(31)23-18-24(30)29(5-2)26(34-23)28-20-10-9-11-22(17-20)32-3/h9-15,17,23H,4-8,16,18H2,1-3H3,(H,27,31)/t23-/m0/s1

InChI Key

KPOMMKGGARAFJI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02147222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.238

Distribution Coefficient, logD

6.238

Water Solubility, LogSw

-5.26

Polar Surface Area

63.096

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 4514-2059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-2059?
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What is the minimum amount of 4514-2059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-2059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-2059
  • 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 4514-2059 available by request