4514-2043 Screening compound: (2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

4514-2043 Screening compound: (2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
4514-2043 Screening compound: (2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-2043
(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-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

4514-2043

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-N-(4-propoxyphenyl)-13-thiazinane-6-carboxamide

SMILES

CCCOc(cc1)ccc1NC(C(CC(N1C)=O)S/C1=N\c1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C22H24ClN3O3S/c1-4-11-29-17-9-7-15(8-10-17)24-21(28)19-13-20(27)26(3)22(30-19)25-16-6-5-14(2)18(23)12-16/h5-10,12,19H,4,11,13H2,1-3H3,(H,24,28)/t19-/m0/s1

InChI Key

FIZRWWQVCBKOJZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02147121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.83

Polar Surface Area

55.594

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 4514-2043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-2043?
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What is the minimum amount of 4514-2043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-2043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-2043
  • 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 4514-2043 available by request