SC66-0112 Screening compound: 2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SC66-0112 Screening compound: 2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
SC66-0112 Screening compound: 2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0112
2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

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

SC66-0112

Molecular Formula

C22H28N6O2 (C22 H28 N6 O2)

Compound Name

2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

IUPAC name

2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane

SMILES

Cn1c(C(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C2)C22CCOCC2)nnc1

InChI

InChI=1S/C22H28N6O2/c1-27-15-24-26-21(27)19-13-28(14-22(19)7-9-30-10-8-22)12-17-11-23-25-20(17)16-3-5-18(29-2)6-4-16/h3-6,11,15,19H,7-10,12-14H2,1-2H3,(H,23,25)/t19-/m1/s1

InChI Key

VAPZEGKSTOPHCV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32257488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.421

Distribution Coefficient, logD

-2.051

Water Solubility, LogSw

-2.02

Polar Surface Area

68.679

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SC66-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0112?
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What is the minimum amount of SC66-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0112
  • 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 SC66-0112 available by request