K840-0352 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

K840-0352 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
K840-0352 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0352
6-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H,4H-thieno[2,3-d]pyrimidin-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

K840-0352

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

6-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-5-methyl-3-propyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CCCN(C=Nc1c2c(C)c(C(N(CC3)CCC33OCCO3)=O)s1)C2=O

InChI

InChI=1S/C18H23N3O4S/c1-3-6-21-11-19-15-13(16(21)22)12(2)14(26-15)17(23)20-7-4-18(5-8-20)24-9-10-25-18/h11H,3-10H2,1-2H3

InChI Key

KZTVLXBVRKRRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-1.69

Polar Surface Area

57.576

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

K840-0352 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 K840-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0352?
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What is the minimum amount of K840-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0352
  • 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 K840-0352 available by request