S836-2672 Screening compound: 4-(methoxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

S836-2672 Screening compound: 4-(methoxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide
S836-2672 Screening compound: 4-(methoxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-2672
4-(methoxymethyl)-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

S836-2672

Molecular Formula

C14H17F3N2O2 (C14 H17 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COC[C@@H](CN(Cc(cc1F)cc(F)c1F)C1)[C@H]1C(N)=O

InChI

InChI=1S/C14H17F3N2O2/c1-21-7-9-5-19(6-10(9)14(18)20)4-8-2-11(15)13(17)12(16)3-8/h2-3,9-10H,4-7H2,1H3,(H2,18,20)/t9-,10+/m0/s1

InChI Key

LIUPFSFNPZJUAG-VHSXEESVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.101

Distribution Coefficient, logD

-0.520

Water Solubility, LogSw

-2.05

Polar Surface Area

46.687

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S836-2672 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S836-2672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-2672?
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What is the minimum amount of S836-2672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-2672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-2672
  • 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 S836-2672 available by request