S858-3844 Screening compound: 1-[(3aS,7aR)-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-1-ethanone

S858-3844 Screening compound: 1-[(3aS,7aR)-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-1-ethanone
S858-3844 Screening compound: 1-[(3aS,7aR)-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S858-3844
1-[(3aS,7aR)-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-1-ethanone

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

S858-3844

Molecular Formula

C15H24N4O4S (C15 H24 N4 O4 S)

Compound Name

1-[(3aS,7aR)-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-1-ethanone

IUPAC name

1-[(3aS7aR)-2-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]ethan-1-one

SMILES

CC(N1C[C@](CO)(CN(C2)S(c3cn(C)c(C)n3)(=O)=O)[C@H]2CC1)=O

InChI

InChI=1S/C15H24N4O4S/c1-11-16-14(7-17(11)3)24(22,23)19-6-13-4-5-18(12(2)21)8-15(13,9-19)10-20/h7,13,20H,4-6,8-10H2,1-3H3/t13-,15-/m1/s1

InChI Key

BSVGBJRAPUSHKW-UKRRQHHQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.774

Distribution Coefficient, logD

-0.774

Water Solubility, LogSw

-1.13

Polar Surface Area

78.697

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.33

References: we are preparing a list of scientific research reports with S858-3844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S858-3844?
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What is the minimum amount of S858-3844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S858-3844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S858-3844
  • 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 S858-3844 available by request