S823-6640 Screening compound: N-[4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

S823-6640 Screening compound: N-[4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
S823-6640 Screening compound: N-[4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6640
N-[4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]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

S823-6640

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(C[C@@H]2CO)C[C@@H]2NC(C2CC2)=O)c1

InChI

InChI=1S/C17H24N2O3/c1-22-15-4-2-3-12(7-15)8-19-9-14(11-20)16(10-19)18-17(21)13-5-6-13/h2-4,7,13-14,16,20H,5-6,8-11H2,1H3,(H,18,21)/t14-,16+/m1/s1

InChI Key

WVVFZUSGYNKKBT-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.148

Distribution Coefficient, logD

-2.551

Water Solubility, LogSw

-1.98

Polar Surface Area

53.723

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S823-6640 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with S823-6640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6640?
Check Price and Availability of S823-6640, 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 S823-6640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6640
  • 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 S823-6640 available by request