SC46-0582 Screening compound: 4-{[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]methyl}-3,5-dimethylisoxazole

SC46-0582 Screening compound: 4-{[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]methyl}-3,5-dimethylisoxazole
SC46-0582 Screening compound: 4-{[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]methyl}-3,5-dimethylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0582
4-{[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]methyl}-3,5-dimethylisoxazole

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

SC46-0582

Molecular Formula

C19H29N5O (C19 H29 N5 O)

Compound Name

4-{[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]methyl}-3,5-dimethylisoxazole

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-[3-(propan-2-yl)-1H-124-triazol-5-yl]-2-azaspiro[4.4]nonane

SMILES

CC(C)c1n[nH]c(C2C3(CCCC3)CN(Cc3c(C)onc3C)C2)n1

InChI

InChI=1S/C19H29N5O/c1-12(2)17-20-18(22-21-17)16-10-24(11-19(16)7-5-6-8-19)9-15-13(3)23-25-14(15)4/h12,16H,5-11H2,1-4H3,(H,20,21,22)/t16-/m0/s1

InChI Key

HPJMXBFRGJLJHK-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

-1.612

Water Solubility, LogSw

-2.97

Polar Surface Area

60.313

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SC46-0582 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC46-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0582?
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What is the minimum amount of SC46-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0582
  • 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 SC46-0582 available by request