SC55-0645 Screening compound: 6-benzyl-N~2~-cyclohexyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide

SC55-0645 Screening compound: 6-benzyl-N~2~-cyclohexyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide
SC55-0645 Screening compound: 6-benzyl-N~2~-cyclohexyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-0645
6-benzyl-N~2~-cyclohexyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octane-2-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

SC55-0645

Molecular Formula

C23H32N6O (C23 H32 N6 O)

Compound Name

6-benzyl-N~2~-cyclohexyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide

IUPAC name

6-benzyl-N-cyclohexyl-8-(3-methyl-1H-124-triazol-5-yl)-26-diazaspiro[3.4]octane-2-carboxamide

SMILES

Cc1n[nH]c(C2C(C3)(CN3C(NC3CCCCC3)=O)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C23H32N6O/c1-17-24-21(27-26-17)20-13-28(12-18-8-4-2-5-9-18)14-23(20)15-29(16-23)22(30)25-19-10-6-3-7-11-19/h2,4-5,8-9,19-20H,3,6-7,10-16H2,1H3,(H,25,30)(H,24,26,27)/t20-/m1/s1

InChI Key

NQLPOKAZCONYNK-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

-0.985

Water Solubility, LogSw

-3.09

Polar Surface Area

64.044

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

10.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

SC55-0645 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC55-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-0645?
Check Price and Availability of SC55-0645, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC55-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-0645
  • 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 SC55-0645 available by request