S026-0904 Screening compound: N-cyclopentyl-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine

S026-0904 Screening compound: N-cyclopentyl-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine
S026-0904 Screening compound: N-cyclopentyl-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S026-0904
N-cyclopentyl-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine

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

S026-0904

Molecular Formula

C22H29N7O (C22 H29 N7 O)

Compound Name

N-cyclopentyl-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine

IUPAC name

N-cyclopentyl-1-(1-ethyl-1H-pyrazole-5-carbonyl)-1'H-spiro[piperidine-32'-pyrido[23-b]pyrazin]-3'-amine

SMILES

CCn1nccc1C(N(CCC1)CC11Nc(cccn2)c2N=C1NC1CCCC1)=O

InChI

InChI=1S/C22H29N7O/c1-2-29-18(10-13-24-29)20(30)28-14-6-11-22(15-28)21(25-16-7-3-4-8-16)26-19-17(27-22)9-5-12-23-19/h5,9-10,12-13,16,27H,2-4,6-8,11,14-15H2,1H3,(H,23,25,26)/t22-/m0/s1

InChI Key

AYPRAXXDVKCCDO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27616963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-2.44

Polar Surface Area

71.422

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S026-0904 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 S026-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S026-0904?
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What is the minimum amount of S026-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S026-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S026-0904
  • 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 S026-0904 available by request