S823-2990 Screening compound: N-{1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclobutanecarboxamide

S823-2990 Screening compound: N-{1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclobutanecarboxamide
S823-2990 Screening compound: N-{1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-2990
N-{1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclobutanecarboxamide

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

S823-2990

Molecular Formula

C17H23ClN2O2 (C17 H23 ClN2 O2)

Compound Name

N-{1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}cyclobutanecarboxamide

IUPAC name

N-[(3S4R)-1-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclobutanecarboxamide

SMILES

OC[C@@H](CN(Cc1cccc(Cl)c1)C1)[C@H]1NC(C1CCC1)=O

InChI

InChI=1S/C17H23ClN2O2/c18-15-6-1-3-12(7-15)8-20-9-14(11-21)16(10-20)19-17(22)13-4-2-5-13/h1,3,6-7,13-14,16,21H,2,4-5,8-11H2,(H,19,22)/t14-,16+/m0/s1

InChI Key

TXUOSTWPMNRSTN-GOEBONIOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.224

Distribution Coefficient, logD

-0.663

Water Solubility, LogSw

-2.33

Polar Surface Area

46.179

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S823-2990 in Drug Discovery

Included in Screening Libraries

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 S823-2990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-2990?
Check Price and Availability of S823-2990, 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 S823-2990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-2990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-2990
  • 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 S823-2990 available by request