2738-0143 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

2738-0143 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
2738-0143 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0143
(2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-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

2738-0143

Molecular Formula

C28H28ClN3O5S (C28 H28 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1/N=C(/N(CCc(cc1)cc(OC)c1OC)C(C1)=O)\SC1C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C28H28ClN3O5S/c1-35-22-10-8-20(9-11-22)31-28-32(14-13-18-7-12-23(36-2)24(15-18)37-3)26(33)17-25(38-28)27(34)30-21-6-4-5-19(29)16-21/h4-12,15-16,25H,13-14,17H2,1-3H3,(H,30,34)/t25-/m0/s1

InChI Key

HMYJTKHPJVYVMR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02144236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-5.15

Polar Surface Area

70.922

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2738-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0143
  • 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 2738-0143 available by request