P168-0536 Screening compound: 8-{1-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

P168-0536 Screening compound: 8-{1-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
P168-0536 Screening compound: 8-{1-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0536
8-{1-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-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

P168-0536

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

8-{1-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-ethyl-1H-pyrrolo[23-b]pyridine-3-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCn1c(nccc2)c2c(C(N(CC2)CCC22OCCO2)=O)c1

InChI

InChI=1S/C17H21N3O3/c1-2-19-12-14(13-4-3-7-18-15(13)19)16(21)20-8-5-17(6-9-20)22-10-11-23-17/h3-4,7,12H,2,5-6,8-11H2,1H3

InChI Key

GPADRDQSXBIXIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.808

Distribution Coefficient, logD

0.808

Water Solubility, LogSw

-1.87

Polar Surface Area

42.959

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

P168-0536 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P168-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0536?
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What is the minimum amount of P168-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0536
  • 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 P168-0536 available by request