SC70-0701 Screening compound: [3-(2-chlorophenyl)-1H-pyrazol-5-yl][8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]methanone

SC70-0701 Screening compound: [3-(2-chlorophenyl)-1H-pyrazol-5-yl][8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]methanone
SC70-0701 Screening compound: [3-(2-chlorophenyl)-1H-pyrazol-5-yl][8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0701
[3-(2-chlorophenyl)-1H-pyrazol-5-yl][8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]methanone

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

SC70-0701

Molecular Formula

C20H21ClN6O (C20 H21 ClN6 O)

Compound Name

[3-(2-chlorophenyl)-1H-pyrazol-5-yl][8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]oct-6-yl]methanone

IUPAC name

6-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-8-(5-methyl-1H-124-triazol-3-yl)-6-azaspiro[3.4]octane

SMILES

Cc1nc(C(C2)C3(CCC3)CN2C(c2cc(-c(cccc3)c3Cl)n[nH]2)=O)n[nH]1

InChI

InChI=1S/C20H21ClN6O/c1-12-22-18(26-23-12)14-10-27(11-20(14)7-4-8-20)19(28)17-9-16(24-25-17)13-5-2-3-6-15(13)21/h2-3,5-6,9,14H,4,7-8,10-11H2,1H3,(H,24,25)(H,22,23,26)/t14-/m0/s1

InChI Key

GUEDIIFDBXHUIY-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.62

Polar Surface Area

73.259

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SC70-0701 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SC70-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0701?
Check Price and Availability of SC70-0701, 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 SC70-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0701
  • 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 SC70-0701 available by request