SC67-1091 Screening compound: 2-benzyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane

SC67-1091 Screening compound: 2-benzyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane
SC67-1091 Screening compound: 2-benzyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-1091
2-benzyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[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

SC67-1091

Molecular Formula

C25H35N7 (C25 H35 N7)

Compound Name

2-benzyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane

IUPAC name

2-benzyl-4-(4-methyl-4H-124-triazol-3-yl)-8-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-28-diazaspiro[4.5]decane

SMILES

CC(C)n1ncc(CN(CC2)CCC2(CN(Cc2ccccc2)C2)C2c2nncn2C)c1

InChI

InChI=1S/C25H35N7/c1-20(2)32-16-22(13-27-32)15-30-11-9-25(10-12-30)18-31(14-21-7-5-4-6-8-21)17-23(25)24-28-26-19-29(24)3/h4-8,13,16,19-20,23H,9-12,14-15,17-18H2,1-3H3/t23-/m1/s1

InChI Key

YCPOCXYFVODJNY-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32259045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.843

Distribution Coefficient, logD

-4.715

Water Solubility, LogSw

-1.40

Polar Surface Area

47.538

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

13.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

SC67-1091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC67-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-1091?
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What is the minimum amount of SC67-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-1091
  • 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 SC67-1091 available by request