C202-3618 Screening compound: 2-[4-(2-hydroxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol

C202-3618 Screening compound: 2-[4-(2-hydroxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol
C202-3618 Screening compound: 2-[4-(2-hydroxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3618
2-[4-(2-hydroxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol

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

C202-3618

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

2-[4-(2-hydroxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol

IUPAC name

2-[4-(2-hydroxyphenyl)-9-methyl-159-triazaspiro[5.5]undec-1-en-2-yl]phenol

SMILES

CN(CC1)CCC1(NC(C1)c(cccc2)c2O)N=C1c(cccc1)c1O

InChI

InChI=1S/C21H25N3O2/c1-24-12-10-21(11-13-24)22-17(15-6-2-4-8-19(15)25)14-18(23-21)16-7-3-5-9-20(16)26/h2-9,17,22,25-26H,10-14H2,1H3/t17-/m1/s1

InChI Key

NPHQUWAQGKHKPK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD24858157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

0.965

Water Solubility, LogSw

-3.15

Polar Surface Area

57.552

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C202-3618 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-3618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3618?
Check Price and Availability of C202-3618, 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 C202-3618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3618
  • 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 C202-3618 available by request