5593-0393 Screening compound: 4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoic acid

5593-0393 Screening compound: 4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoic acid
5593-0393 Screening compound: 4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0393
4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-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

5593-0393

Molecular Formula

C20H18ClN3O4S (C20 H18 ClN3 O4 S)

Compound Name

4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-13-thiazinane-6-amido]benzoic acid

SMILES

Cc(ccc(/N=C(/N(C)C(C1)=O)\SC1C(Nc(cc1)ccc1C(O)=O)=O)c1)c1Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-11-3-6-14(9-15(11)21)23-20-24(2)17(25)10-16(29-20)18(26)22-13-7-4-12(5-8-13)19(27)28/h3-9,16H,10H2,1-2H3,(H,22,26)(H,27,28)/t16-/m0/s1

InChI Key

VZRIYTMHFKLLOF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02147111

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-4.26

Polar Surface Area

76.584

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5593-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0393?
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What is the minimum amount of 5593-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0393
  • 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 5593-0393 available by request