SC65-0895 Screening compound: (1S,3R,6S)-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0895 Screening compound: (1S,3R,6S)-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0895 Screening compound: (1S,3R,6S)-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0895
(1S,3R,6S)-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-N~6~-methyl-5-(phenylsulfonyl)-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

SC65-0895

Molecular Formula

C26H32N4O4S (C26 H32 N4 O4 S)

Compound Name

(1S,3R,6S)-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

IUPAC name

(1S3R6S)-5-(benzenesulfonyl)-N6-methyl-N1-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CNC([C@H](C[C@@](C1)(C2)[C@H]1C(NCCN(CC1)Cc3c1cccc3)=O)N2S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C26H32N4O4S/c1-27-25(32)23-16-26(18-30(23)35(33,34)21-9-3-2-4-10-21)15-22(26)24(31)28-12-14-29-13-11-19-7-5-6-8-20(19)17-29/h2-10,22-23H,11-18H2,1H3,(H,27,32)(H,28,31)/t22-,23-,26-/m0/s1

InChI Key

NAANEYIEVSDTBI-FXSPECFOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.453

Distribution Coefficient, logD

0.960

Water Solubility, LogSw

-2.44

Polar Surface Area

85.706

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.15

SC65-0895 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC65-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0895?
Check Price and Availability of SC65-0895, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC65-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0895
  • 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 SC65-0895 available by request