SC70-0188 Screening compound: 8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-[(4-methylphenyl)acetyl]-6-azaspiro[3.4]octane

SC70-0188 Screening compound: 8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-[(4-methylphenyl)acetyl]-6-azaspiro[3.4]octane
SC70-0188 Screening compound: 8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-[(4-methylphenyl)acetyl]-6-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0188
8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-[(4-methylphenyl)acetyl]-6-azaspiro[3.4]octane

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

SC70-0188

Molecular Formula

C21H26N4O (C21 H26 N4 O)

Compound Name

8-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-6-[(4-methylphenyl)acetyl]-6-azaspiro[3.4]octane

IUPAC name

1-[8-(5-cyclopropyl-1H-124-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(4-methylphenyl)ethan-1-one

SMILES

Cc1ccc(CC(N(C2)CC3(CCC3)C2c2n[nH]c(C3CC3)n2)=O)cc1

InChI

InChI=1S/C21H26N4O/c1-14-3-5-15(6-4-14)11-18(26)25-12-17(21(13-25)9-2-10-21)20-22-19(23-24-20)16-7-8-16/h3-6,16-17H,2,7-13H2,1H3,(H,22,23,24)/t17-/m0/s1

InChI Key

JYZILAZWBQISDZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32260404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.39

Polar Surface Area

50.880

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SC70-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0188?
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What is the minimum amount of SC70-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0188
  • 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 SC70-0188 available by request