S823-2675 Screening compound: N-[1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide

S823-2675 Screening compound: N-[1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
S823-2675 Screening compound: N-[1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2675
N-[1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide

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

S823-2675

Molecular Formula

C14H18N2O3 (C14 H18 N2 O3)

Compound Name

N-[1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide

IUPAC name

N-[(3S4R)-1-acetyl-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide

SMILES

CC(N(C[C@@H]1CO)C[C@@H]1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C14H18N2O3/c1-10(18)16-7-12(9-17)13(8-16)15-14(19)11-5-3-2-4-6-11/h2-6,12-13,17H,7-9H2,1H3,(H,15,19)/t12-,13+/m1/s1

InChI Key

CIAWLCJGLWOWSI-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.050

Distribution Coefficient, logD

-0.050

Water Solubility, LogSw

-1.54

Polar Surface Area

59.311

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

S823-2675 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with S823-2675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2675?
Check Price and Availability of S823-2675, 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 S823-2675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2675
  • 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 S823-2675 available by request