SA96-1478 Screening compound: 6-benzyl-N~8~-(cyclopropylmethyl)-2-(morpholinosulfonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1478 Screening compound: 6-benzyl-N~8~-(cyclopropylmethyl)-2-(morpholinosulfonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1478 Screening compound: 6-benzyl-N~8~-(cyclopropylmethyl)-2-(morpholinosulfonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1478
6-benzyl-N~8~-(cyclopropylmethyl)-2-(morpholinosulfonyl)-2,6-diazaspiro[3.4]octane-8-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

SA96-1478

Molecular Formula

C22H32N4O4S (C22 H32 N4 O4 S)

Compound Name

6-benzyl-N~8~-(cyclopropylmethyl)-2-(morpholinosulfonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-N-(cyclopropylmethyl)-2-(morpholine-4-sulfonyl)-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

O=C(C1C(C2)(CN2S(N2CCOCC2)(=O)=O)CN(Cc2ccccc2)C1)NCC1CC1

InChI

InChI=1S/C22H32N4O4S/c27-21(23-12-18-6-7-18)20-14-24(13-19-4-2-1-3-5-19)15-22(20)16-26(17-22)31(28,29)25-8-10-30-11-9-25/h1-5,18,20H,6-17H2,(H,23,27)/t20-/m1/s1

InChI Key

KPPAHHSONZXPFI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32244264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

-2.344

Water Solubility, LogSw

-2.28

Polar Surface Area

71.092

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA96-1478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA96-1478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1478?
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What is the minimum amount of SA96-1478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1478
  • 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 SA96-1478 available by request