C226-1138 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C226-1138 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
C226-1138 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1138
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-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

C226-1138

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(3-carbamoyl-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)-5-(34-dimethoxyphenyl)-12-oxazole-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(N)=O)c(NC(c1noc(-c(cc3)cc(OC)c3OC)c1)=O)s2

InChI

InChI=1S/C22H23N3O5S/c1-11-4-6-13-18(8-11)31-22(19(13)20(23)26)24-21(27)14-10-16(30-25-14)12-5-7-15(28-2)17(9-12)29-3/h5,7,9-11H,4,6,8H2,1-3H3,(H2,23,26)(H,24,27)/t11-/m1/s1

InChI Key

VNCQZKANEWESMW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09782246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-3.46

Polar Surface Area

93.900

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C226-1138 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C226-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1138?
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What is the minimum amount of C226-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1138
  • 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 C226-1138 available by request