SC77-0956 Screening compound: (4S,5S)-2-(4-fluorobenzyl)-10-oxo-N~4~-[2-(2-pyridyl)ethyl]-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

SC77-0956 Screening compound: (4S,5S)-2-(4-fluorobenzyl)-10-oxo-N~4~-[2-(2-pyridyl)ethyl]-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SC77-0956 Screening compound: (4S,5S)-2-(4-fluorobenzyl)-10-oxo-N~4~-[2-(2-pyridyl)ethyl]-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC77-0956
(4S,5S)-2-(4-fluorobenzyl)-10-oxo-N~4~-[2-(2-pyridyl)ethyl]-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

SC77-0956

Molecular Formula

C22H25FN4O3 (C22 H25 FN4 O3)

Compound Name

(4S,5S)-2-(4-fluorobenzyl)-10-oxo-N~4~-[2-(2-pyridyl)ethyl]-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

IUPAC name

(4S5S)-2-[(4-fluorophenyl)methyl]-10-oxo-N-[2-(pyridin-2-yl)ethyl]-6-oxa-29-diazaspiro[4.5]decane-4-carboxamide

SMILES

O=C([C@H](CN(Cc(cc1)ccc1F)C1)[C@@]11OCCNC1=O)NCCc1ncccc1

InChI

InChI=1S/C22H25FN4O3/c23-17-6-4-16(5-7-17)13-27-14-19(22(15-27)21(29)26-11-12-30-22)20(28)25-10-8-18-3-1-2-9-24-18/h1-7,9,19H,8,10-15H2,(H,25,28)(H,26,29)/t19-,22+/m1/s1

InChI Key

VPCDWIYIEFHGFC-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

0.628

Water Solubility, LogSw

-1.94

Polar Surface Area

70.916

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SC77-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC77-0956?
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What is the minimum amount of SC77-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC77-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC77-0956
  • 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 SC77-0956 available by request