2741-2156 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide

2741-2156 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
2741-2156 Screening compound: (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2741-2156
(2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-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

2741-2156

Molecular Formula

C27H26ClN3O4S (C27 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCN(C(CC(C(Nc1cccc(Cl)c1)=O)S1)=O)/C1=N/c1ccccc1)c1)c1OC

InChI

InChI=1S/C27H26ClN3O4S/c1-34-22-12-11-18(15-23(22)35-2)13-14-31-25(32)17-24(26(33)29-21-10-6-7-19(28)16-21)36-27(31)30-20-8-4-3-5-9-20/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,29,33)/t24-/m0/s1

InChI Key

VSZHBFYTEUTPMS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02144062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.90

Polar Surface Area

63.378

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2741-2156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2741-2156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2741-2156?
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What is the minimum amount of 2741-2156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2741-2156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2741-2156
  • 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 2741-2156 available by request