4300-0225 Screening compound: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide

4300-0225 Screening compound: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide
4300-0225 Screening compound: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0225
2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide

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

4300-0225

Molecular Formula

C19H19BrN2O4S (C19 H19 BrN2 O4 S)

Compound Name

2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-trimethoxybenzamide

IUPAC name

2-bromo-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-345-trimethoxybenzamide

SMILES

COc(cc(C(Nc(sc1c2CCCC1)c2C#N)=O)c(Br)c1OC)c1OC

InChI

InChI=1S/C19H19BrN2O4S/c1-24-13-8-11(15(20)17(26-3)16(13)25-2)18(23)22-19-12(9-21)10-6-4-5-7-14(10)27-19/h8H,4-7H2,1-3H3,(H,22,23)

InChI Key

OUJSUQOWRLOQBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02347984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-4.40

Polar Surface Area

63.165

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4300-0225 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4300-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0225?
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What is the minimum amount of 4300-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0225
  • 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 4300-0225 available by request