C593-1256 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1256 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1256 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1256
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-8-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

C593-1256

Molecular Formula

C23H19NO5S (C23 H19 NO5 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-8-methyl-4-oxo-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(c1cc(C(Oc2c-3cc(C)cc2)=O)c3s1)=O

InChI

InChI=1S/C23H19NO5S/c1-12-3-5-17-15(9-12)21-16(23(26)29-17)11-20(30-21)22(25)24-13(2)14-4-6-18-19(10-14)28-8-7-27-18/h3-6,9-11,13H,7-8H2,1-2H3,(H,24,25)/t13-/m0/s1

InChI Key

OCDZMHWTQPMZEW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14774076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.10

Polar Surface Area

61.307

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C593-1256 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 C593-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1256?
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What is the minimum amount of C593-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1256
  • 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 C593-1256 available by request