S823-5698 Screening compound: N-{1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

S823-5698 Screening compound: N-{1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide
S823-5698 Screening compound: N-{1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-5698
N-{1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

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

S823-5698

Molecular Formula

C15H20F2N2O3 (C15 H20 F2 N2 O3)

Compound Name

N-{1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

IUPAC name

N-[(3S4R)-1-[(34-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H]1[C@@H](CO)CN(Cc(cc2)cc(F)c2F)C1)=O

InChI

InChI=1S/C15H20F2N2O3/c1-22-9-15(21)18-14-7-19(6-11(14)8-20)5-10-2-3-12(16)13(17)4-10/h2-4,11,14,20H,5-9H2,1H3,(H,18,21)/t11-,14+/m0/s1

InChI Key

SVXUVOPSTJYUKA-SMDDNHRTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.351

Distribution Coefficient, logD

-1.203

Water Solubility, LogSw

-2.01

Polar Surface Area

54.138

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S823-5698 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S823-5698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-5698?
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What is the minimum amount of S823-5698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-5698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-5698
  • 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 S823-5698 available by request