SC55-1101 Screening compound: 1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-methoxy-1-ethanone

SC55-1101 Screening compound: 1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-methoxy-1-ethanone
SC55-1101 Screening compound: 1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-methoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1101
1-[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-methoxy-1-ethanone

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

SC55-1101

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

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

IUPAC name

1-[6-benzyl-8-(3-cyclopropyl-1H-124-triazol-5-yl)-26-diazaspiro[3.4]octan-2-yl]-2-methoxyethan-1-one

SMILES

COCC(N(C1)CC1(CN(Cc1ccccc1)C1)C1c1nc(C2CC2)n[nH]1)=O

InChI

InChI=1S/C21H27N5O2/c1-28-11-18(27)26-13-21(14-26)12-25(9-15-5-3-2-4-6-15)10-17(21)20-22-19(23-24-20)16-7-8-16/h2-6,16-17H,7-14H2,1H3,(H,22,23,24)/t17-/m1/s1

InChI Key

WTBRJPHXRSZVOJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32258428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

-2.918

Water Solubility, LogSw

-1.80

Polar Surface Area

62.983

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SC55-1101 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 SC55-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1101?
Check Price and Availability of SC55-1101, 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 SC55-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1101
  • 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 SC55-1101 available by request