S823-4346 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

S823-4346 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
S823-4346 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4346
1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-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

S823-4346

Molecular Formula

C17H26N2O3 (C17 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)[C@@H](C1)[C@@H](CO)CN1C(CCc(cccc1)c1OC)=O

InChI

InChI=1S/C17H26N2O3/c1-18(2)15-11-19(10-14(15)12-20)17(21)9-8-13-6-4-5-7-16(13)22-3/h4-7,14-15,20H,8-12H2,1-3H3/t14-,15+/m0/s1

InChI Key

XFSOZBSSNZNWMF-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

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

1.012

Distribution Coefficient, logD

-0.722

Water Solubility, LogSw

-1.65

Polar Surface Area

43.249

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S823-4346 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S823-4346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4346?
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What is the minimum amount of S823-4346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4346
  • 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 S823-4346 available by request