SA96-1471 Screening compound: 6-benzyl-N-(cyclopropylmethyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1471 Screening compound: 6-benzyl-N-(cyclopropylmethyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1471 Screening compound: 6-benzyl-N-(cyclopropylmethyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1471
6-benzyl-N-(cyclopropylmethyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-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

SA96-1471

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

6-benzyl-N-(cyclopropylmethyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-N-(cyclopropylmethyl)-2-[2-(35-dimethyl-12-oxazol-4-yl)acetyl]-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

Cc1noc(C)c1CC(N(C1)CC1(CN(Cc1ccccc1)C1)C1C(NCC1CC1)=O)=O

InChI

InChI=1S/C25H32N4O3/c1-17-21(18(2)32-27-17)10-23(30)29-15-25(16-29)14-28(12-20-6-4-3-5-7-20)13-22(25)24(31)26-11-19-8-9-19/h3-7,19,22H,8-16H2,1-2H3,(H,26,31)/t22-/m1/s1

InChI Key

VUGNROSLZXIASU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD32244145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

-2.200

Water Solubility, LogSw

-2.31

Polar Surface Area

67.226

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

11.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

SA96-1471 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SA96-1471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1471?
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What is the minimum amount of SA96-1471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1471
  • 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 SA96-1471 available by request