2738-0325 Screening compound: ethyl 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoate

2738-0325 Screening compound: ethyl 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoate
2738-0325 Screening compound: ethyl 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0325
ethyl 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-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

2738-0325

Molecular Formula

C31H33N3O7S (C31 H33 N3 O7 S)

Compound Name

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

IUPAC name

ethyl 4-[(2Z)-3-[2-(34-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-13-thiazinane-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC(N1CCc(cc2)cc(OC)c2OC)=O)S/C1=N\c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C31H33N3O7S/c1-5-41-30(37)21-7-9-22(10-8-21)32-29(36)27-19-28(35)34(17-16-20-6-15-25(39-3)26(18-20)40-4)31(42-27)33-23-11-13-24(38-2)14-12-23/h6-15,18,27H,5,16-17,19H2,1-4H3,(H,32,36)/t27-/m0/s1

InChI Key

QULZJDPQUSCNMN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02144254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.53

Polar Surface Area

91.675

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

2738-0325 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2738-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0325?
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What is the minimum amount of 2738-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0325
  • 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 2738-0325 available by request