2738-0436 Screening compound: ethyl 4-[(2E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

2738-0436 Screening compound: ethyl 4-[(2E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate
2738-0436 Screening compound: ethyl 4-[(2E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0436
ethyl 4-[(2E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

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

2738-0436

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

ethyl 4-[(2E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-amido]benzoate

IUPAC name

ethyl 4-[(2E)-2-[(34-dimethylphenyl)imino]-3-methyl-4-oxo-13-thiazinane-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC(N1C)=O)S/C1=N/c1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-5-30-22(29)16-7-10-17(11-8-16)24-21(28)19-13-20(27)26(4)23(31-19)25-18-9-6-14(2)15(3)12-18/h6-12,19H,5,13H2,1-4H3,(H,24,28)/t19-/m0/s1

InChI Key

OQFXPWWGOKBFJV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03678487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.49

Polar Surface Area

68.930

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

2738-0436 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2738-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0436?
Check Price and Availability of 2738-0436, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2738-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0436
  • 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 2738-0436 available by request