SC65-0491 Screening compound: (1S,3R,6S)-5-isobutyl-N~1~-[2-(2-methoxyphenoxy)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0491 Screening compound: (1S,3R,6S)-5-isobutyl-N~1~-[2-(2-methoxyphenoxy)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0491 Screening compound: (1S,3R,6S)-5-isobutyl-N~1~-[2-(2-methoxyphenoxy)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0491
(1S,3R,6S)-5-isobutyl-N~1~-[2-(2-methoxyphenoxy)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

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

SC65-0491

Molecular Formula

C22H33N3O4 (C22 H33 N3 O4)

Compound Name

(1S,3R,6S)-5-isobutyl-N~1~-[2-(2-methoxyphenoxy)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

IUPAC name

(1S3R6S)-N1-[2-(2-methoxyphenoxy)ethyl]-N6-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CC(C)CN(C[C@](C1)(C2)[C@H]1C(NCCOc(cccc1)c1OC)=O)[C@@H]2C(NC)=O

InChI

InChI=1S/C22H33N3O4/c1-15(2)13-25-14-22(12-17(25)21(27)23-3)11-16(22)20(26)24-9-10-29-19-8-6-5-7-18(19)28-4/h5-8,15-17H,9-14H2,1-4H3,(H,23,27)(H,24,26)/t16-,17-,22-/m0/s1

InChI Key

SIJZETLUGIXRLT-HOIFWPIMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

0.183

Water Solubility, LogSw

-2.12

Polar Surface Area

68.878

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with SC65-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0491?
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What is the minimum amount of SC65-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0491
  • 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 SC65-0491 available by request