SA41-0090 Screening compound: [1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl][7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

SA41-0090 Screening compound: [1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl][7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone
SA41-0090 Screening compound: [1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl][7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0090
[1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl][7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

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

SA41-0090

Molecular Formula

C22H28FN3O2 (C22 H28 FN3 O2)

Compound Name

[1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl][7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

IUPAC name

(2-{1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carbonyl}-6-methyl-26-diazaspiro[3.4]octan-7-yl)methanol

SMILES

Cc1cc(C(N(C2)CC22CN(C)C(CO)C2)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H28FN3O2/c1-15-8-20(16(2)26(15)10-17-4-6-18(23)7-5-17)21(28)25-13-22(14-25)9-19(11-27)24(3)12-22/h4-8,19,27H,9-14H2,1-3H3/t19-/m0/s1

InChI Key

POJAVFUSCPSADW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32236341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.705

Distribution Coefficient, logD

-1.997

Water Solubility, LogSw

-2.40

Polar Surface Area

39.680

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA41-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA41-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0090?
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What is the minimum amount of SA41-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0090
  • 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 SA41-0090 available by request