SA96-1112 Screening compound: 6-benzyl-2-(3,5-dimethylbenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1112 Screening compound: 6-benzyl-2-(3,5-dimethylbenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1112 Screening compound: 6-benzyl-2-(3,5-dimethylbenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1112
6-benzyl-2-(3,5-dimethylbenzoyl)-N-methyl-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

SA96-1112

Molecular Formula

C24H29N3O2 (C24 H29 N3 O2)

Compound Name

6-benzyl-2-(3,5-dimethylbenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-2-(35-dimethylbenzoyl)-N-methyl-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

Cc1cc(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2C(NC)=O)=O)cc(C)c1

InChI

InChI=1S/C24H29N3O2/c1-17-9-18(2)11-20(10-17)23(29)27-15-24(16-27)14-26(13-21(24)22(28)25-3)12-19-7-5-4-6-8-19/h4-11,21H,12-16H2,1-3H3,(H,25,28)/t21-/m1/s1

InChI Key

XFHUCTIIEBNXFF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32243409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

-1.768

Water Solubility, LogSw

-2.79

Polar Surface Area

45.614

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA96-1112 in Drug Discovery

Included in Screening Libraries

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 SA96-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1112?
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What is the minimum amount of SA96-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1112
  • 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 SA96-1112 available by request