S824-2078 Screening compound: 1-[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2,2-dimethyl-1-butanone

S824-2078 Screening compound: 1-[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2,2-dimethyl-1-butanone
S824-2078 Screening compound: 1-[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2,2-dimethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2078
1-[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2,2-dimethyl-1-butanone

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

S824-2078

Molecular Formula

C16H24N2O2 (C16 H24 N2 O2)

Compound Name

1-[(3S,4R)-3-(hydroxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2,2-dimethyl-1-butanone

IUPAC name

1-[(3S4R)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-22-dimethylbutan-1-one

SMILES

CCC(C)(C)C(N(C[C@@H]1CO)C[C@@H]1c1ccncc1)=O

InChI

InChI=1S/C16H24N2O2/c1-4-16(2,3)15(20)18-9-13(11-19)14(10-18)12-5-7-17-8-6-12/h5-8,13-14,19H,4,9-11H2,1-3H3/t13-,14-/m0/s1

InChI Key

FXGXHARBHKKGOR-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.015

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.36

Polar Surface Area

43.663

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S824-2078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S824-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2078?
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What is the minimum amount of S824-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2078
  • 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 S824-2078 available by request