C593-1127 Screening compound: 2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[3,2-c]chromen-4-one

C593-1127 Screening compound: 2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[3,2-c]chromen-4-one
C593-1127 Screening compound: 2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1127
2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[3,2-c]chromen-4-one

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

C593-1127

Molecular Formula

C20H19NO5S (C20 H19 NO5 S)

Compound Name

2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[3,2-c]chromen-4-one

IUPAC name

2-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-8-methyl-4H-thieno[32-c]chromen-4-one

SMILES

Cc(cc1)cc(-c2c3cc(C(N(CC4)CCC44OCCO4)=O)s2)c1OC3=O

InChI

InChI=1S/C20H19NO5S/c1-12-2-3-15-13(10-12)17-14(19(23)26-15)11-16(27-17)18(22)21-6-4-20(5-7-21)24-8-9-25-20/h2-3,10-11H,4-9H2,1H3

InChI Key

VCJZRKZENAILGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.32

Polar Surface Area

52.992

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C593-1127 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1127?
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What is the minimum amount of C593-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1127
  • 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 C593-1127 available by request