S823-6659 Screening compound: N-{1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide

S823-6659 Screening compound: N-{1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide
S823-6659 Screening compound: N-{1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6659
N-{1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide

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

S823-6659

Molecular Formula

C18H26N2O4 (C18 H26 N2 O4)

Compound Name

N-{1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide

IUPAC name

N-[(3S4R)-1-[(24-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide

SMILES

COc1cc(OC)c(CN(C[C@@H]2CO)C[C@@H]2NC(C2CC2)=O)cc1

InChI

InChI=1S/C18H26N2O4/c1-23-15-6-5-13(17(7-15)24-2)8-20-9-14(11-21)16(10-20)19-18(22)12-3-4-12/h5-7,12,14,16,21H,3-4,8-11H2,1-2H3,(H,19,22)/t14-,16+/m1/s1

InChI Key

IMWHETYSULOOAY-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.197

Distribution Coefficient, logD

-0.822

Water Solubility, LogSw

-2.15

Polar Surface Area

61.353

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S823-6659 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S823-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6659?
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What is the minimum amount of S823-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6659
  • 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 S823-6659 available by request