SB59-0604 Screening compound: 6-benzyl-N-cyclopentyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide

SB59-0604 Screening compound: 6-benzyl-N-cyclopentyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide
SB59-0604 Screening compound: 6-benzyl-N-cyclopentyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0604
6-benzyl-N-cyclopentyl-8-(4-methyl-4H-1,2,4-triazol-3-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

SB59-0604

Molecular Formula

C22H30N6O (C22 H30 N6 O)

Compound Name

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

IUPAC name

6-benzyl-N-cyclopentyl-8-(4-methyl-4H-124-triazol-3-yl)-26-diazaspiro[3.4]octane-2-carboxamide

SMILES

Cn1c(C2C(C3)(CN3C(NC3CCCC3)=O)CN(Cc3ccccc3)C2)nnc1

InChI

InChI=1S/C22H30N6O/c1-26-16-23-25-20(26)19-12-27(11-17-7-3-2-4-8-17)13-22(19)14-28(15-22)21(29)24-18-9-5-6-10-18/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,24,29)/t19-/m1/s1

InChI Key

MAFFPBQSFCUBMJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32249065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

-1.069

Water Solubility, LogSw

-2.28

Polar Surface Area

55.925

Acid Dissociation Constant (pKa)

17.20

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SB59-0604 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB59-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0604?
Check Price and Availability of SB59-0604, 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 SB59-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0604
  • 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 SB59-0604 available by request