CM4670-2017 Screening compound: 2-isopropyl-5-{2-methyl-8-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}-1,3,4-oxadiazole

CM4670-2017 Screening compound: 2-isopropyl-5-{2-methyl-8-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}-1,3,4-oxadiazole
CM4670-2017 Screening compound: 2-isopropyl-5-{2-methyl-8-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4670-2017
2-isopropyl-5-{2-methyl-8-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}-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

CM4670-2017

Molecular Formula

C22H29F3N4O (C22 H29 F3 N4 O)

Compound Name

2-isopropyl-5-{2-methyl-8-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}-1,3,4-oxadiazole

IUPAC name

2-methyl-4-[5-(propan-2-yl)-134-oxadiazol-2-yl]-8-{[3-(trifluoromethyl)phenyl]methyl}-28-diazaspiro[4.5]decane

SMILES

CC(C)c1nnc(C(CN(C)C2)C22CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1

InChI

InChI=1S/C22H29F3N4O/c1-15(2)19-26-27-20(30-19)18-13-28(3)14-21(18)7-9-29(10-8-21)12-16-5-4-6-17(11-16)22(23,24)25/h4-6,11,15,18H,7-10,12-14H2,1-3H3/t18-/m1/s1

InChI Key

YDONEBCJMHTVEF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30459010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

-0.122

Water Solubility, LogSw

-3.86

Polar Surface Area

38.117

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

11.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

CM4670-2017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4670-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4670-2017?
Check Price and Availability of CM4670-2017, 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 CM4670-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4670-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4670-2017
  • 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 CM4670-2017 available by request