C593-1245 Screening compound: 8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1245 Screening compound: 8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1245 Screening compound: 8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1245
8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[3,2-c]chromene-2-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

C593-1245

Molecular Formula

C27H28N2O3S (C27 H28 N2 O3 S)

Compound Name

8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

8-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(CN2CCC(CNC(c3cc(C(Oc4c-5cc(C)cc4)=O)c5s3)=O)CC2)c1

InChI

InChI=1S/C27H28N2O3S/c1-17-4-3-5-20(12-17)16-29-10-8-19(9-11-29)15-28-26(30)24-14-22-25(33-24)21-13-18(2)6-7-23(21)32-27(22)31/h3-7,12-14,19H,8-11,15-16H2,1-2H3,(H,28,30)

InChI Key

MIIGRNRJNNINII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-5.45

Polar Surface Area

50.053

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C593-1245 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1245?
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What is the minimum amount of C593-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1245
  • 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 C593-1245 available by request