SC68-1071 Screening compound: 3-cyclopentyl-1-[4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-propanone

SC68-1071 Screening compound: 3-cyclopentyl-1-[4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-propanone
SC68-1071 Screening compound: 3-cyclopentyl-1-[4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1071
3-cyclopentyl-1-[4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-propanone

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

SC68-1071

Molecular Formula

C22H36N4O (C22 H36 N4 O)

Compound Name

3-cyclopentyl-1-[4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-propanone

IUPAC name

3-cyclopentyl-1-{4-[4-(propan-2-yl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl}propan-1-one

SMILES

CC(C)n1c(C(CN(C2)C(CCC3CCCC3)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C22H36N4O/c1-17(2)26-16-23-24-21(26)19-14-25(15-22(19)12-6-3-7-13-22)20(27)11-10-18-8-4-5-9-18/h16-19H,3-15H2,1-2H3/t19-/m0/s1

InChI Key

WHAGTLPWQSSANA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32259289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.73

Polar Surface Area

42.218

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.36

SC68-1071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC68-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1071?
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What is the minimum amount of SC68-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1071
  • 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 SC68-1071 available by request