S823-3906 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one

S823-3906 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
S823-3906 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-3906
1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one

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

S823-3906

Molecular Formula

C13H26N2O2 (C13 H26 N2 O2)

Compound Name

1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one

IUPAC name

1-[(3S4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one

SMILES

CCC(CC)C(N(C[C@@H]1CO)C[C@@H]1N(C)C)=O

InChI

InChI=1S/C13H26N2O2/c1-5-10(6-2)13(17)15-7-11(9-16)12(8-15)14(3)4/h10-12,16H,5-9H2,1-4H3/t11-,12+/m0/s1

InChI Key

GOYFMNLWKKDEPV-NWDGAFQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.923

Distribution Coefficient, logD

-0.895

Water Solubility, LogSw

-0.61

Polar Surface Area

36.417

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

92.31

S823-3906 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S823-3906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-3906?
Check Price and Availability of S823-3906, 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 S823-3906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-3906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-3906
  • 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 S823-3906 available by request