S823-4421 Screening compound: [4-(dimethylamino)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol

S823-4421 Screening compound: [4-(dimethylamino)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol
S823-4421 Screening compound: [4-(dimethylamino)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4421
[4-(dimethylamino)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol

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

S823-4421

Molecular Formula

C17H29N3O3 (C17 H29 N3 O3)

Compound Name

[4-(dimethylamino)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol

IUPAC name

[(3R4S)-4-(dimethylamino)-1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl]methanol

SMILES

Cc1cc(C(N(C[C@@H]2CO)C[C@@H]2N(C)C)=O)c(C)n1CCOC

InChI

InChI=1S/C17H29N3O3/c1-12-8-15(13(2)20(12)6-7-23-5)17(22)19-9-14(11-21)16(10-19)18(3)4/h8,14,16,21H,6-7,9-11H2,1-5H3/t14-,16+/m0/s1

InChI Key

NVRWQYBQDVFEAX-GOEBONIOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.022

Distribution Coefficient, logD

-0.935

Water Solubility, LogSw

-1.17

Polar Surface Area

46.660

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

S823-4421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S823-4421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4421?
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What is the minimum amount of S823-4421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4421
  • 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 S823-4421 available by request