2738-0321 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide

2738-0321 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
2738-0321 Screening compound: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0321
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-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

2738-0321

Molecular Formula

C30H33N3O5S (C30 H33 N3 O5 S)

Compound Name

(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-[2-(34-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-N-(2-phenylethyl)-13-thiazinane-6-carboxamide

SMILES

COc(cc1)ccc1/N=C(/N(CCc(cc1)cc(OC)c1OC)C(C1)=O)\SC1C(NCCc1ccccc1)=O

InChI

InChI=1S/C30H33N3O5S/c1-36-24-12-10-23(11-13-24)32-30-33(18-16-22-9-14-25(37-2)26(19-22)38-3)28(34)20-27(39-30)29(35)31-17-15-21-7-5-4-6-8-21/h4-14,19,27H,15-18,20H2,1-3H3,(H,31,35)/t27-/m0/s1

InChI Key

FHPJVSFJWIREDS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02144248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.22

Polar Surface Area

72.085

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 2738-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0321?
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What is the minimum amount of 2738-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0321
  • 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 2738-0321 available by request