SA40-0695 Screening compound: 2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide

SA40-0695 Screening compound: 2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide
SA40-0695 Screening compound: 2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA40-0695
2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-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

SA40-0695

Molecular Formula

C17H27N5O2 (C17 H27 N5 O2)

Compound Name

2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide

IUPAC name

2-(13-dimethyl-1H-pyrazole-5-carbonyl)-6-methyl-N-(propan-2-yl)-26-diazaspiro[3.4]octane-7-carboxamide

SMILES

CC(C)NC(C1N(C)CC(C2)(CN2C(c2cc(C)nn2C)=O)C1)=O

InChI

InChI=1S/C17H27N5O2/c1-11(2)18-15(23)14-7-17(8-20(14)4)9-22(10-17)16(24)13-6-12(3)19-21(13)5/h6,11,14H,7-10H2,1-5H3,(H,18,23)/t14-/m1/s1

InChI Key

ZEHLBEMHLUQVQI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32237395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.262

Distribution Coefficient, logD

-1.803

Water Solubility, LogSw

-1.13

Polar Surface Area

57.673

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SA40-0695 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA40-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA40-0695?
Check Price and Availability of SA40-0695, 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 SA40-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA40-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA40-0695
  • 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 SA40-0695 available by request