S823-0694 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

S823-0694 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
S823-0694 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-0694
N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

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

S823-0694

Molecular Formula

C20H23FN2O2 (C20 H23 FN2 O2)

Compound Name

N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

IUPAC name

N-[(3S4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide

SMILES

OC[C@@H](CN(Cc1ccccc1)C1)[C@H]1NC(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C20H23FN2O2/c21-18-8-6-15(7-9-18)10-20(25)22-19-13-23(12-17(19)14-24)11-16-4-2-1-3-5-16/h1-9,17,19,24H,10-14H2,(H,22,25)/t17-,19+/m1/s1

InChI Key

ZVLZIXOZWYRQJF-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

-0.422

Water Solubility, LogSw

-1.96

Polar Surface Area

45.442

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

S823-0694 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S823-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-0694?
Check Price and Availability of S823-0694, 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 S823-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-0694
  • 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 S823-0694 available by request