SC65-0908 Screening compound: (1S,3R,6S)-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0908 Screening compound: (1S,3R,6S)-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0908 Screening compound: (1S,3R,6S)-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0908
(1S,3R,6S)-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-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

SC65-0908

Molecular Formula

C23H31N5O4S (C23 H31 N5 O4 S)

Compound Name

(1S,3R,6S)-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

IUPAC name

(1S3R6S)-5-(benzenesulfonyl)-N1-ethyl-N1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N6-methyl-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CCN(Cc1cn(CC)nc1)C([C@@H](C1)[C@@]1(C[C@H]1C(NC)=O)CN1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H31N5O4S/c1-4-26(14-17-13-25-27(5-2)15-17)22(30)19-11-23(19)12-20(21(29)24-3)28(16-23)33(31,32)18-9-7-6-8-10-18/h6-10,13,15,19-20H,4-5,11-12,14,16H2,1-3H3,(H,24,29)/t19-,20-,23-/m0/s1

InChI Key

LIXUNFBVSXIYMZ-JTAQYXEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.357

Distribution Coefficient, logD

0.357

Water Solubility, LogSw

-2.33

Polar Surface Area

88.244

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with SC65-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0908?
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What is the minimum amount of SC65-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0908
  • 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 SC65-0908 available by request