C202-3688 Screening compound: 2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol

C202-3688 Screening compound: 2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol
C202-3688 Screening compound: 2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3688
2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol

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

C202-3688

Molecular Formula

C24H31N3O3 (C24 H31 N3 O3)

Compound Name

2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol

IUPAC name

2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-159-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol

SMILES

CC(C)N(CC1)CCC1(NC(C1)c2cccc(OC)c2O)N=C1c(cccc1)c1O

InChI

InChI=1S/C24H31N3O3/c1-16(2)27-13-11-24(12-14-27)25-19(17-7-4-5-9-21(17)28)15-20(26-24)18-8-6-10-22(30-3)23(18)29/h4-10,16,20,26,28-29H,11-15H2,1-3H3/t20-/m0/s1

InChI Key

XMRZUWYTCYSWFQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14731739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-3.68

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

C202-3688 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C202-3688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3688?
Check Price and Availability of C202-3688, 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 C202-3688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3688
  • 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 C202-3688 available by request