SB24-0139 Screening compound: N,N-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-7-azaspiro[3.5]non-1-yl}-1H-1,2,3-triazole-4-carboxamide

SB24-0139 Screening compound: N,N-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-7-azaspiro[3.5]non-1-yl}-1H-1,2,3-triazole-4-carboxamide
SB24-0139 Screening compound: N,N-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-7-azaspiro[3.5]non-1-yl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB24-0139
N,N-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-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

SB24-0139

Molecular Formula

C21H31N7O2 (C21 H31 N7 O2)

Compound Name

N,N-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-7-azaspiro[3.5]non-1-yl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

NN-diethyl-1-{7-[3-(1H-imidazol-1-yl)propanoyl]-7-azaspiro[3.5]nonan-1-yl}-1H-123-triazole-4-carboxamide

SMILES

CCN(CC)C(c1cn(C(CC2)C2(CC2)CCN2C(CCn2cncc2)=O)nn1)=O

InChI

InChI=1S/C21H31N7O2/c1-3-26(4-2)20(30)17-15-28(24-23-17)18-5-7-21(18)8-12-27(13-9-21)19(29)6-11-25-14-10-22-16-25/h10,14-16,18H,3-9,11-13H2,1-2H3/t18-/m0/s1

InChI Key

PBPQIPRSIXOUSG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32246702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.121

Distribution Coefficient, logD

-0.208

Water Solubility, LogSw

-0.11

Polar Surface Area

70.815

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB24-0139 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB24-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB24-0139?
Check Price and Availability of SB24-0139, 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 SB24-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB24-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB24-0139
  • 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 SB24-0139 available by request