SC55-1199 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone

SC55-1199 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
SC55-1199 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1199
[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1,3,5-trimethyl-1H-pyrazol-4-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

SC55-1199

Molecular Formula

C25H31N7O (C25 H31 N7 O)

Compound Name

[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone

IUPAC name

6-benzyl-8-(3-cyclopropyl-1H-124-triazol-5-yl)-2-(135-trimethyl-1H-pyrazole-4-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cc1c(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2c2nc(C3CC3)n[nH]2)=O)c(C)nn1C

InChI

InChI=1S/C25H31N7O/c1-16-21(17(2)30(3)29-16)24(33)32-14-25(15-32)13-31(11-18-7-5-4-6-8-18)12-20(25)23-26-22(27-28-23)19-9-10-19/h4-8,19-20H,9-15H2,1-3H3,(H,26,27,28)/t20-/m1/s1

InChI Key

LFMKKMNTQLOHOD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32259018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

-2.484

Water Solubility, LogSw

-2.05

Polar Surface Area

69.654

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

SC55-1199 in Drug Discovery

Included in Screening Libraries

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 SC55-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1199?
Check Price and Availability of SC55-1199, 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 SC55-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1199
  • 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 SC55-1199 available by request