SC55-1038 Screening compound: 6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]octane

SC55-1038 Screening compound: 6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]octane
SC55-1038 Screening compound: 6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1038
6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]octane

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

SC55-1038

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]octane

IUPAC name

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

SMILES

C(c1ccccc1)N(C1)CC(C2)(CN2C2CCOCC2)C1c1nc(C2CC2)n[nH]1

InChI

InChI=1S/C23H31N5O/c1-2-4-17(5-3-1)12-27-13-20(22-24-21(25-26-22)18-6-7-18)23(14-27)15-28(16-23)19-8-10-29-11-9-19/h1-5,18-20H,6-16H2,(H,24,25,26)/t20-/m1/s1

InChI Key

CUYYTCDXAGKMRV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32257825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

-2.106

Water Solubility, LogSw

-2.62

Polar Surface Area

49.361

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

12.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SC55-1038 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC55-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1038?
Check Price and Availability of SC55-1038, 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 SC55-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1038
  • 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 SC55-1038 available by request