S655-0837 Screening compound: 2-[2-ISOBUTYL-8-(3-PYRIDYLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-3-YL]-5-METHYL-1,3,4-OXADIAZOLE

S655-0837 Screening compound: 2-[2-ISOBUTYL-8-(3-PYRIDYLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-3-YL]-5-METHYL-1,3,4-OXADIAZOLE
S655-0837 Screening compound: 2-[2-ISOBUTYL-8-(3-PYRIDYLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-3-YL]-5-METHYL-1,3,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S655-0837
2-[2-ISOBUTYL-8-(3-PYRIDYLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-3-YL]-5-METHYL-1,3,4-OXADIAZOLE

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

S655-0837

Molecular Formula

C21H31N5O (C21 H31 N5 O)

Compound Name

2-[2-ISOBUTYL-8-(3-PYRIDYLMETHYL)-2,8-DIAZASPIRO[4.5]DEC-3-YL]-5-METHYL-1,3,4-OXADIAZOLE

IUPAC name

n/a

SMILES

CC(C)CN(CC1(C2)CCN(Cc3cnccc3)CC1)C2c1nnc(C)o1

InChI

InChI=1S/C21H31N5O/c1-16(2)13-26-15-21(11-19(26)20-24-23-17(3)27-20)6-9-25(10-7-21)14-18-5-4-8-22-12-18/h4-5,8,12,16,19H,6-7,9-11,13-15H2,1-3H3/t19-/m0/s1

InChI Key

NENXNGOSRSKRBD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30467621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-1.58

Polar Surface Area

47.124

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S655-0837 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S655-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S655-0837?
Check Price and Availability of S655-0837, 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 S655-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S655-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S655-0837
  • 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 S655-0837 available by request