S836-2450 Screening compound: 4-(methoxymethyl)-N-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

S836-2450 Screening compound: 4-(methoxymethyl)-N-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide
S836-2450 Screening compound: 4-(methoxymethyl)-N-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-2450
4-(methoxymethyl)-N-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

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

S836-2450

Molecular Formula

C15H19F3N2O2 (C15 H19 F3 N2 O2)

Compound Name

4-(methoxymethyl)-N-methyl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-4-(methoxymethyl)-N-methyl-1-[(345-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

SMILES

CNC([C@@H]1[C@@H](COC)CN(Cc(cc2F)cc(F)c2F)C1)=O

InChI

InChI=1S/C15H19F3N2O2/c1-19-15(21)11-7-20(6-10(11)8-22-2)5-9-3-12(16)14(18)13(17)4-9/h3-4,10-11H,5-8H2,1-2H3,(H,19,21)/t10-,11+/m0/s1

InChI Key

IOWLTNQRUUMJRJ-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

-0.168

Water Solubility, LogSw

-2.05

Polar Surface Area

37.463

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S836-2450 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S836-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-2450?
Check Price and Availability of S836-2450, 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 S836-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-2450
  • 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 S836-2450 available by request