E761-0437 Screening compound: N~5~-(2,4-dimethylphenyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

E761-0437 Screening compound: N~5~-(2,4-dimethylphenyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
E761-0437 Screening compound: N~5~-(2,4-dimethylphenyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E761-0437
N~5~-(2,4-dimethylphenyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-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

E761-0437

Molecular Formula

C20H20N2OS (C20 H20 N2 OS)

Compound Name

N~5~-(2,4-dimethylphenyl)-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

IUPAC name

N-(24-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

CC(C1)Sc2c3n1c(C(Nc1c(C)cc(C)cc1)=O)cc3ccc2

InChI

InChI=1S/C20H20N2OS/c1-12-7-8-16(13(2)9-12)21-20(23)17-10-15-5-4-6-18-19(15)22(17)11-14(3)24-18/h4-10,14H,11H2,1-3H3,(H,21,23)/t14-/m0/s1

InChI Key

QCOCYZBRWXILFZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14917122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-5.26

Polar Surface Area

22.382

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E761-0437 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E761-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E761-0437?
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What is the minimum amount of E761-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E761-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E761-0437
  • 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 E761-0437 available by request