SD25-0352 Screening compound: 3-{2-[(1-phenylcyclopentyl)carbonyl]-2-azaspiro[4.5]dec-4-yl}-1-(1-pyrrolidinyl)-1-propanone

SD25-0352 Screening compound: 3-{2-[(1-phenylcyclopentyl)carbonyl]-2-azaspiro[4.5]dec-4-yl}-1-(1-pyrrolidinyl)-1-propanone
SD25-0352 Screening compound: 3-{2-[(1-phenylcyclopentyl)carbonyl]-2-azaspiro[4.5]dec-4-yl}-1-(1-pyrrolidinyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD25-0352
3-{2-[(1-phenylcyclopentyl)carbonyl]-2-azaspiro[4.5]dec-4-yl}-1-(1-pyrrolidinyl)-1-propanone

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

SD25-0352

Molecular Formula

C28H40N2O2 (C28 H40 N2 O2)

Compound Name

3-{2-[(1-phenylcyclopentyl)carbonyl]-2-azaspiro[4.5]dec-4-yl}-1-(1-pyrrolidinyl)-1-propanone

IUPAC name

3-[2-(1-phenylcyclopentanecarbonyl)-2-azaspiro[4.5]decan-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCC(CN(C1)C(C2(CCCC2)c2ccccc2)=O)C11CCCCC1)N1CCCC1

InChI

InChI=1S/C28H40N2O2/c31-25(29-19-9-10-20-29)14-13-24-21-30(22-27(24)15-5-2-6-16-27)26(32)28(17-7-8-18-28)23-11-3-1-4-12-23/h1,3-4,11-12,24H,2,5-10,13-22H2/t24-/m1/s1

InChI Key

MMKHTICFCGEVOC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD32259970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.16

Polar Surface Area

33.814

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SD25-0352 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 SD25-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD25-0352?
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What is the minimum amount of SD25-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD25-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD25-0352
  • 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 SD25-0352 available by request