SB24-0400 Screening compound: N~4~,N~4~-dimethyl-1-[7-(2-thienylmethyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide

SB24-0400 Screening compound: N~4~,N~4~-dimethyl-1-[7-(2-thienylmethyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide
SB24-0400 Screening compound: N~4~,N~4~-dimethyl-1-[7-(2-thienylmethyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB24-0400
N~4~,N~4~-dimethyl-1-[7-(2-thienylmethyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-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

SB24-0400

Molecular Formula

C18H25N5OS (C18 H25 N5 OS)

Compound Name

N~4~,N~4~-dimethyl-1-[7-(2-thienylmethyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

NN-dimethyl-1-{7-[(thiophen-2-yl)methyl]-7-azaspiro[3.5]nonan-1-yl}-1H-123-triazole-4-carboxamide

SMILES

CN(C)C(c1cn(C(CC2)C22CCN(Cc3cccs3)CC2)nn1)=O

InChI

InChI=1S/C18H25N5OS/c1-21(2)17(24)15-13-23(20-19-15)16-5-6-18(16)7-9-22(10-8-18)12-14-4-3-11-25-14/h3-4,11,13,16H,5-10,12H2,1-2H3/t16-/m0/s1

InChI Key

JIVHCWVTTGIVGP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32247011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.098

Distribution Coefficient, logD

0.482

Water Solubility, LogSw

-2.00

Polar Surface Area

46.713

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB24-0400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB24-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB24-0400?
Check Price and Availability of SB24-0400, 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 SB24-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB24-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB24-0400
  • 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 SB24-0400 available by request