SC67-0637 Screening compound: 2-methyl-N~8~-phenethyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

SC67-0637 Screening compound: 2-methyl-N~8~-phenethyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SC67-0637 Screening compound: 2-methyl-N~8~-phenethyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0637
2-methyl-N~8~-phenethyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

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

SC67-0637

Molecular Formula

C23H34N6O (C23 H34 N6 O)

Compound Name

2-methyl-N~8~-phenethyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

2-methyl-N-(2-phenylethyl)-4-(4-propyl-4H-124-triazol-3-yl)-28-diazaspiro[4.5]decane-8-carboxamide

SMILES

CCCn1c(C(CN(C)C2)C2(CC2)CCN2C(NCCc2ccccc2)=O)nnc1

InChI

InChI=1S/C23H34N6O/c1-3-13-29-18-25-26-21(29)20-16-27(2)17-23(20)10-14-28(15-11-23)22(30)24-12-9-19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3,(H,24,30)/t20-/m1/s1

InChI Key

SBLVXYFBALBGSU-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

-1.382

Water Solubility, LogSw

-2.07

Polar Surface Area

54.836

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

SC67-0637 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 SC67-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0637?
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What is the minimum amount of SC67-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0637
  • 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 SC67-0637 available by request