SA96-1198 Screening compound: 6-benzyl-N-methyl-2-{[5-methyl-4-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]carbonyl}-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1198 Screening compound: 6-benzyl-N-methyl-2-{[5-methyl-4-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]carbonyl}-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1198 Screening compound: 6-benzyl-N-methyl-2-{[5-methyl-4-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]carbonyl}-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1198
6-benzyl-N-methyl-2-{[5-methyl-4-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]carbonyl}-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

SA96-1198

Molecular Formula

C24H28N6O3 (C24 H28 N6 O3)

Compound Name

6-benzyl-N-methyl-2-{[5-methyl-4-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]carbonyl}-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-N-methyl-2-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-12-oxazole-3-carbonyl}-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

Cc1c(Cn2nccc2)c(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2C(NC)=O)=O)no1

InChI

InChI=1S/C24H28N6O3/c1-17-19(12-30-10-6-9-26-30)21(27-33-17)23(32)29-15-24(16-29)14-28(13-20(24)22(31)25-2)11-18-7-4-3-5-8-18/h3-10,20H,11-16H2,1-2H3,(H,25,31)/t20-/m1/s1

InChI Key

DLJSIWAHHHCANN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32244016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.432

Distribution Coefficient, logD

-3.588

Water Solubility, LogSw

-1.77

Polar Surface Area

82.369

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA96-1198 in Drug Discovery

Included in Screening Libraries

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 SA96-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1198?
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What is the minimum amount of SA96-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1198
  • 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 SA96-1198 available by request