SC77-0827 Screening compound: (4S,5S)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isopropylsulfonyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

SC77-0827 Screening compound: (4S,5S)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isopropylsulfonyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SC77-0827 Screening compound: (4S,5S)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isopropylsulfonyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC77-0827
(4S,5S)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isopropylsulfonyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

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

SC77-0827

Molecular Formula

C19H31N5O5S (C19 H31 N5 O5 S)

Compound Name

(4S,5S)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isopropylsulfonyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

IUPAC name

(4S5S)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-29-diazaspiro[4.5]decane-4-carboxamide

SMILES

CCn1nc(C)c(CNC([C@H](CN(C2)S(C(C)C)(=O)=O)[C@@]22OCCNC2=O)=O)c1C

InChI

InChI=1S/C19H31N5O5S/c1-6-24-14(5)15(13(4)22-24)9-21-17(25)16-10-23(30(27,28)12(2)3)11-19(16)18(26)20-7-8-29-19/h12,16H,6-11H2,1-5H3,(H,20,26)(H,21,25)/t16-,19+/m1/s1

InChI Key

SANJHVLCIZENPF-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.196

Distribution Coefficient, logD

-0.196

Water Solubility, LogSw

-1.75

Polar Surface Area

104.059

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.68

SC77-0827 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC77-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC77-0827?
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What is the minimum amount of SC77-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC77-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC77-0827
  • 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 SC77-0827 available by request