C593-1242 Screening compound: 8-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1242 Screening compound: 8-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1242 Screening compound: 8-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1242
8-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-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

C593-1242

Molecular Formula

C23H19NO3S (C23 H19 NO3 S)

Compound Name

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

IUPAC name

8-methyl-4-oxo-N-(1234-tetrahydronaphthalen-1-yl)-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc(cc1)cc(-c2c3cc(C(NC(CCC4)c5c4cccc5)=O)s2)c1OC3=O

InChI

InChI=1S/C23H19NO3S/c1-13-9-10-19-16(11-13)21-17(23(26)27-19)12-20(28-21)22(25)24-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-12,18H,4,6,8H2,1H3,(H,24,25)/t18-/m0/s1

InChI Key

HXNCBIJEZSFUQD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14774063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.40

Polar Surface Area

46.164

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C593-1242 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1242?
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What is the minimum amount of C593-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1242
  • 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 C593-1242 available by request