S823-6518 Screening compound: N-{1-[(3-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide

S823-6518 Screening compound: N-{1-[(3-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide
S823-6518 Screening compound: N-{1-[(3-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6518
N-{1-[(3-ethoxyphenyl)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

S823-6518

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(CN(C[C@@H]2CO)C[C@@H]2NC(C2CC2)=O)c1

InChI

InChI=1S/C18H26N2O3/c1-2-23-16-5-3-4-13(8-16)9-20-10-15(12-21)17(11-20)19-18(22)14-6-7-14/h3-5,8,14-15,17,21H,2,6-7,9-12H2,1H3,(H,19,22)/t15-,17+/m1/s1

InChI Key

FXLISLUBPOYGMA-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

-2.163

Water Solubility, LogSw

-2.07

Polar Surface Area

53.302

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

References: we are preparing a list of scientific research reports with S823-6518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6518?
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What is the minimum amount of S823-6518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6518
  • 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 S823-6518 available by request