SA47-0191 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SA47-0191 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol
SA47-0191 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0191
2-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-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

SA47-0191

Molecular Formula

C21H25FN2O3 (C21 H25 FN2 O3)

Compound Name

2-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

IUPAC name

2-{1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carbonyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CC1(COC(C2)(CN2C(c2c(C)n(Cc(cc3)ccc3F)c(C)c2)=O)C1)O

InChI

InChI=1S/C21H25FN2O3/c1-14-8-18(15(2)24(14)9-16-4-6-17(22)7-5-16)19(25)23-11-21(12-23)10-20(3,26)13-27-21/h4-8,26H,9-13H2,1-3H3/t20-/m0/s1

InChI Key

QFIRWIFHXMXDMD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32237269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.72

Polar Surface Area

41.904

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

References: we are preparing a list of scientific research reports with SA47-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0191?
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What is the minimum amount of SA47-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0191
  • 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 SA47-0191 available by request