D047-0047 Screening compound: 8-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

D047-0047 Screening compound: 8-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
D047-0047 Screening compound: 8-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0047
8-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

D047-0047

Molecular Formula

C15H19N5O5S (C15 H19 N5 O5 S)

Compound Name

8-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[3-methoxy-4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc(cc(cc1)S(N(CC2)CCC22OCCO2)(=O)=O)c1-n1nnnc1

InChI

InChI=1S/C15H19N5O5S/c1-23-14-10-12(2-3-13(14)20-11-16-17-18-20)26(21,22)19-6-4-15(5-7-19)24-8-9-25-15/h2-3,10-11H,4-9H2,1H3

InChI Key

JILURNCAQBSWSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-2.47

Polar Surface Area

93.481

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

D047-0047 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D047-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0047?
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What is the minimum amount of D047-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0047
  • 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 D047-0047 available by request