CM4670-0038 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

CM4670-0038 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CM4670-0038 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4670-0038
N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-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

CM4670-0038

Molecular Formula

C20H26ClN5O3 (C20 H26 ClN5 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-methyl-4-(5-methyl-134-oxadiazol-2-yl)-28-diazaspiro[4.5]decane-8-carboxamide

SMILES

Cc1nnc(C(CN(C)C2)C2(CC2)CCN2C(Nc(cc(cc2)Cl)c2OC)=O)o1

InChI

InChI=1S/C20H26ClN5O3/c1-13-23-24-18(29-13)15-11-25(2)12-20(15)6-8-26(9-7-20)19(27)22-16-10-14(21)4-5-17(16)28-3/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,27)/t15-/m1/s1

InChI Key

FWSXIQFMIOVWDU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30460104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

-1.565

Water Solubility, LogSw

-3.06

Polar Surface Area

66.014

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

CM4670-0038 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4670-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4670-0038?
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What is the minimum amount of CM4670-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4670-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4670-0038
  • 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 CM4670-0038 available by request