S823-3245 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclobutanecarboxamide

S823-3245 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclobutanecarboxamide
S823-3245 Screening compound: N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-3245
N~1~-[(3S,4R)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclobutanecarboxamide

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

S823-3245

Molecular Formula

C16H25N3O3 (C16 H25 N3 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1noc(C)c1CN(C[C@@H]1CO)C[C@@H]1NC(C1CCC1)=O

InChI

InChI=1S/C16H25N3O3/c1-10-14(11(2)22-18-10)7-19-6-13(9-20)15(8-19)17-16(21)12-4-3-5-12/h12-13,15,20H,3-9H2,1-2H3,(H,17,21)/t13-,15+/m1/s1

InChI Key

IXBCATXDNDMIMH-HIFRSBDPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.306

Distribution Coefficient, logD

-4.129

Water Solubility, LogSw

-0.65

Polar Surface Area

68.217

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

11.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with S823-3245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-3245?
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What is the minimum amount of S823-3245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-3245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-3245
  • 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 S823-3245 available by request