S824-2057 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

S824-2057 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
S824-2057 Screening compound: 1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2057
1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-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

S824-2057

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-[(3S4R)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

SMILES

COc1ccc(CCC(N(C[C@@H]2CO)C[C@@H]2c2ccncc2)=O)cc1

InChI

InChI=1S/C20H24N2O3/c1-25-18-5-2-15(3-6-18)4-7-20(24)22-12-17(14-23)19(13-22)16-8-10-21-11-9-16/h2-3,5-6,8-11,17,19,23H,4,7,12-14H2,1H3/t17-,19-/m0/s1

InChI Key

VVLQPEMZFJRGTK-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-2.31

Polar Surface Area

50.408

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S824-2057 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S824-2057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2057?
Check Price and Availability of S824-2057, 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 S824-2057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2057
  • 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 S824-2057 available by request