C797-0109 Screening compound: 8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

C797-0109 Screening compound: 8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane
C797-0109 Screening compound: 8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0109
8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-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

C797-0109

Molecular Formula

C28H27FN4O3S (C28 H27 FN4 O3 S)

Compound Name

8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C28H27FN4O3S/c29-23-7-3-20(4-8-23)18-33-25-17-30-12-9-24(25)31-27(33)37-19-21-1-5-22(6-2-21)26(34)32-13-10-28(11-14-32)35-15-16-36-28/h1-9,12,17H,10-11,13-16,18-19H2

InChI Key

BLFNFVGHELPHJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.42

Polar Surface Area

51.080

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C797-0109 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C797-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0109?
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What is the minimum amount of C797-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0109
  • 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 C797-0109 available by request