S971-0527 Screening compound: 7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol

S971-0527 Screening compound: 7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol
S971-0527 Screening compound: 7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0527
7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol

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

S971-0527

Molecular Formula

C19H30N2O3 (C19 H30 N2 O3)

Compound Name

7-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-[1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-7-azaspiro[3.5]nonan-1-ol

SMILES

Cc1cc(C(N(CC2)CCC2(CC2)C2O)=O)c(C)n1CCCOC

InChI

InChI=1S/C19H30N2O3/c1-14-13-16(15(2)21(14)9-4-12-24-3)18(23)20-10-7-19(8-11-20)6-5-17(19)22/h13,17,22H,4-12H2,1-3H3/t17-/m0/s1

InChI Key

IFRJLMUQJUWEOJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.029

Distribution Coefficient, logD

1.029

Water Solubility, LogSw

-1.57

Polar Surface Area

43.268

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S971-0527 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S971-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0527?
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What is the minimum amount of S971-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0527
  • 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 S971-0527 available by request