C202-3686 Screening compound: 4-chloro-2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol

C202-3686 Screening compound: 4-chloro-2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol
C202-3686 Screening compound: 4-chloro-2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-1,5,9-triazaspiro[5.5]undec-1-en-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3686
4-chloro-2-[4-(2-hydroxyphenyl)-9-(propan-2-yl)-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

C202-3686

Molecular Formula

C23H28ClN3O2 (C23 H28 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC1)CCC1(NC(C1)c(cccc2)c2O)N=C1c(cc(cc1)Cl)c1O

InChI

InChI=1S/C23H28ClN3O2/c1-15(2)27-11-9-23(10-12-27)25-19(17-5-3-4-6-21(17)28)14-20(26-23)18-13-16(24)7-8-22(18)29/h3-8,13,15,19,25,28-29H,9-12,14H2,1-2H3/t19-/m1/s1

InChI Key

ALCVAVJWTSSLFU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD24858170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-4.52

Polar Surface Area

57.939

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C202-3686 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C202-3686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3686?
Check Price and Availability of C202-3686, 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 C202-3686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3686
  • 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 C202-3686 available by request