SC65-0951 Screening compound: (1S,3R,6S)-N~6~-methyl-N~1~-(2-phenoxyethyl)-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0951 Screening compound: (1S,3R,6S)-N~6~-methyl-N~1~-(2-phenoxyethyl)-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0951 Screening compound: (1S,3R,6S)-N~6~-methyl-N~1~-(2-phenoxyethyl)-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0951
(1S,3R,6S)-N~6~-methyl-N~1~-(2-phenoxyethyl)-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

SC65-0951

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

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

IUPAC name

(1S3R6S)-5-(benzenesulfonyl)-N6-methyl-N1-(2-phenoxyethyl)-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CNC([C@H](C[C@@](C1)(C2)[C@H]1C(NCCOc1ccccc1)=O)N2S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H27N3O5S/c1-24-22(28)20-15-23(16-26(20)32(29,30)18-10-6-3-7-11-18)14-19(23)21(27)25-12-13-31-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,24,28)(H,25,27)/t19-,20-,23-/m0/s1

InChI Key

MEIMCSUOJUMRQK-JTAQYXEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.688

Distribution Coefficient, logD

1.688

Water Solubility, LogSw

-2.53

Polar Surface Area

89.479

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with SC65-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0951?
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What is the minimum amount of SC65-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0951
  • 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 SC65-0951 available by request