S823-4418 Screening compound: 1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

S823-4418 Screening compound: 1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone
S823-4418 Screening compound: 1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4418
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

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

S823-4418

Molecular Formula

C14H23N3O3 (C14 H23 N3 O3)

Compound Name

1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(N(C[C@@H]1CO)C[C@@H]1N(C)C)=O

InChI

InChI=1S/C14H23N3O3/c1-9-12(10(2)20-15-9)5-14(19)17-6-11(8-18)13(7-17)16(3)4/h11,13,18H,5-8H2,1-4H3/t11-,13+/m0/s1

InChI Key

RPUNGHIWBLESDD-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.176

Distribution Coefficient, logD

-1.979

Water Solubility, LogSw

-0.08

Polar Surface Area

57.657

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.40

S823-4418 in Drug Discovery

Included in Screening Libraries

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 S823-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4418?
Check Price and Availability of S823-4418, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S823-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4418
  • 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 S823-4418 available by request