SB24-0187 Screening compound: N~4~,N~4~-diethyl-1-[7-(3-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide

SB24-0187 Screening compound: N~4~,N~4~-diethyl-1-[7-(3-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide
SB24-0187 Screening compound: N~4~,N~4~-diethyl-1-[7-(3-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB24-0187
N~4~,N~4~-diethyl-1-[7-(3-thienylcarbonyl)-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

SB24-0187

Molecular Formula

C20H27N5O2S (C20 H27 N5 O2 S)

Compound Name

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

IUPAC name

NN-diethyl-1-[7-(thiophene-3-carbonyl)-7-azaspiro[3.5]nonan-1-yl]-1H-123-triazole-4-carboxamide

SMILES

CCN(CC)C(c1cn(C(CC2)C2(CC2)CCN2C(c2cscc2)=O)nn1)=O

InChI

InChI=1S/C20H27N5O2S/c1-3-23(4-2)19(27)16-13-25(22-21-16)17-5-7-20(17)8-10-24(11-9-20)18(26)15-6-12-28-14-15/h6,12-14,17H,3-5,7-11H2,1-2H3/t17-/m0/s1

InChI Key

RNMVTHYQQQDUSG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32246726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-2.00

Polar Surface Area

59.560

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SB24-0187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB24-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB24-0187?
Check Price and Availability of SB24-0187, 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 SB24-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB24-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB24-0187
  • 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 SB24-0187 available by request