S823-5455 Screening compound: N~1~-[(3S,4R)-1-[(3-fluoro-4-pyridyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

S823-5455 Screening compound: N~1~-[(3S,4R)-1-[(3-fluoro-4-pyridyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
S823-5455 Screening compound: N~1~-[(3S,4R)-1-[(3-fluoro-4-pyridyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-5455
N~1~-[(3S,4R)-1-[(3-fluoro-4-pyridyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-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

S823-5455

Molecular Formula

C14H20FN3O3 (C14 H20 FN3 O3)

Compound Name

N~1~-[(3S,4R)-1-[(3-fluoro-4-pyridyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

IUPAC name

n/a

SMILES

COCC(N[C@@H]1[C@@H](CO)CN(Cc(ccnc2)c2F)C1)=O

InChI

InChI=1S/C14H20FN3O3/c1-21-9-14(20)17-13-7-18(6-11(13)8-19)5-10-2-3-16-4-12(10)15/h2-4,11,13,19H,5-9H2,1H3,(H,17,20)/t11-,13+/m0/s1

InChI Key

GXJAYARHGCYVRP-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.630

Distribution Coefficient, logD

-1.452

Water Solubility, LogSw

-1.00

Polar Surface Area

63.655

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with S823-5455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-5455?
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What is the minimum amount of S823-5455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-5455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-5455
  • 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 S823-5455 available by request