SC67-0238 Screening compound: cyclopropyl[8-[(5-methyl-2-thienyl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone

SC67-0238 Screening compound: cyclopropyl[8-[(5-methyl-2-thienyl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone
SC67-0238 Screening compound: cyclopropyl[8-[(5-methyl-2-thienyl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0238
cyclopropyl[8-[(5-methyl-2-thienyl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone

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

SC67-0238

Molecular Formula

C21H29N5OS (C21 H29 N5 OS)

Compound Name

cyclopropyl[8-[(5-methyl-2-thienyl)methyl]-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-cyclopropanecarbonyl-4-(4-methyl-4H-124-triazol-3-yl)-8-[(5-methylthiophen-2-yl)methyl]-28-diazaspiro[4.5]decane

SMILES

Cc1ccc(CN(CC2)CCC2(CN(C2)C(C3CC3)=O)C2c2nncn2C)s1

InChI

InChI=1S/C21H29N5OS/c1-15-3-6-17(28-15)11-25-9-7-21(8-10-25)13-26(20(27)16-4-5-16)12-18(21)19-23-22-14-24(19)2/h3,6,14,16,18H,4-5,7-13H2,1-2H3/t18-/m1/s1

InChI Key

XBHQHOZHYKOXKX-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

0.180

Water Solubility, LogSw

-2.36

Polar Surface Area

47.034

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC67-0238 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC67-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0238?
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What is the minimum amount of SC67-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0238
  • 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 SC67-0238 available by request