2738-0217 Screening compound: ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-amido]benzoate

2738-0217 Screening compound: ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-amido]benzoate
2738-0217 Screening compound: ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0217
ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-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

2738-0217

Molecular Formula

C28H27N3O4S (C28 H27 N3 O4 S)

Compound Name

ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-amido]benzoate

IUPAC name

ethyl 4-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-13-thiazinane-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC(N1CCc2ccccc2)=O)S/C1=N\c1ccccc1)=O)=O

InChI

InChI=1S/C28H27N3O4S/c1-2-35-27(34)21-13-15-23(16-14-21)29-26(33)24-19-25(32)31(18-17-20-9-5-3-6-10-20)28(36-24)30-22-11-7-4-8-12-22/h3-16,24H,2,17-19H2,1H3,(H,29,33)/t24-/m0/s1

InChI Key

LYPPJBSACNIEMW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02143993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.27

Polar Surface Area

68.871

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 2738-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0217?
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What is the minimum amount of 2738-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0217
  • 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 2738-0217 available by request