S823-4956 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]acetamide

S823-4956 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]acetamide
S823-4956 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4956
N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]acetamide

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

S823-4956

Molecular Formula

C13H19N3O4 (C13 H19 N3 O4)

Compound Name

N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]acetamide

IUPAC name

n/a

SMILES

CC(N[C@@H](C1)[C@@H](CO)CN1C(c1c(C)onc1C)=O)=O

InChI

InChI=1S/C13H19N3O4/c1-7-12(8(2)20-15-7)13(19)16-4-10(6-17)11(5-16)14-9(3)18/h10-11,17H,4-6H2,1-3H3,(H,14,18)/t10-,11+/m0/s1

InChI Key

AJIRNPMSQKJVLU-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.123

Distribution Coefficient, logD

-1.123

Water Solubility, LogSw

-0.87

Polar Surface Area

80.780

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with S823-4956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4956?
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What is the minimum amount of S823-4956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4956
  • 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 S823-4956 available by request