SC68-1419 Screening compound: 3,5-dimethyl-4-{[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]sulfonyl}isoxazole

SC68-1419 Screening compound: 3,5-dimethyl-4-{[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]sulfonyl}isoxazole
SC68-1419 Screening compound: 3,5-dimethyl-4-{[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]sulfonyl}isoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1419
3,5-dimethyl-4-{[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]sulfonyl}isoxazole

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

SC68-1419

Molecular Formula

C19H29N5O3S (C19 H29 N5 O3 S)

Compound Name

3,5-dimethyl-4-{[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]sulfonyl}isoxazole

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-(4-propyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decane

SMILES

CCCn1c(C(CN(C2)S(c3c(C)onc3C)(=O)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C19H29N5O3S/c1-4-10-23-13-20-21-18(23)16-11-24(12-19(16)8-6-5-7-9-19)28(25,26)17-14(2)22-27-15(17)3/h13,16H,4-12H2,1-3H3/t16-/m0/s1

InChI Key

SLPZYNUDDLJNNH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32260279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.683

Water Solubility, LogSw

-1.82

Polar Surface Area

78.476

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SC68-1419 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 SC68-1419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1419?
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What is the minimum amount of SC68-1419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1419
  • 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 SC68-1419 available by request