5593-1988 Screening compound: 4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

5593-1988 Screening compound: 4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid
5593-1988 Screening compound: 4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1988
4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-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

5593-1988

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-3-ethyl-2-[(2-methoxyphenyl)imino]-4-oxo-13-thiazinane-6-amido]benzoic acid

SMILES

CCN(C(CC(C(Nc(cc1)ccc1C(O)=O)=O)S1)=O)/C1=N/c(cccc1)c1OC

InChI

InChI=1S/C21H21N3O5S/c1-3-24-18(25)12-17(19(26)22-14-10-8-13(9-11-14)20(27)28)30-21(24)23-15-6-4-5-7-16(15)29-2/h4-11,17H,3,12H2,1-2H3,(H,22,26)(H,27,28)/t17-/m0/s1

InChI Key

MGIYTZWSQVRRQJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02230834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-3.54

Polar Surface Area

83.476

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5593-1988 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5593-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1988?
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What is the minimum amount of 5593-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1988
  • 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 5593-1988 available by request