C797-0981 Screening compound: 8-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

C797-0981 Screening compound: 8-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane
C797-0981 Screening compound: 8-{4-[({3-benzyl-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 C797-0981
8-{4-[({3-benzyl-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

C797-0981

Molecular Formula

C28H28N4O3S (C28 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C28H28N4O3S/c33-26(31-14-11-28(12-15-31)34-16-17-35-28)23-8-6-22(7-9-23)20-36-27-30-24-10-13-29-18-25(24)32(27)19-21-4-2-1-3-5-21/h1-10,13,18H,11-12,14-17,19-20H2

InChI Key

GDXCFYBEBLNUNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798471

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

500.62

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

3.538

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.38

Polar Surface Area

51.080

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C797-0981 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0981?
Check Price and Availability of C797-0981, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C797-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0981
  • 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 C797-0981 available by request