V027-5222 Screening compound: 3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

V027-5222 Screening compound: 3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
V027-5222 Screening compound: 3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5222
3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

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

V027-5222

Molecular Formula

C28H31F3N4O3S (C28 H31 F3 N4 O3 S)

Compound Name

3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

3-(2-methylpropyl)-8-(quinoline-8-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-148-triazaspiro[4.5]decan-2-one

SMILES

CC(C)CC1NC(CC2)(CCN2S(c2cccc3cccnc23)(=O)=O)N(Cc2cc(C(F)(F)F)ccc2)C1=O

InChI

InChI=1S/C28H31F3N4O3S/c1-19(2)16-23-26(36)35(18-20-6-3-9-22(17-20)28(29,30)31)27(33-23)11-14-34(15-12-27)39(37,38)24-10-4-7-21-8-5-13-32-25(21)24/h3-10,13,17,19,23,33H,11-12,14-16,18H2,1-2H3/t23-/m1/s1

InChI Key

HVUVUDQYSAQORR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19816319

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.65

Polar Surface Area

69.916

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V027-5222 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V027-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5222?
Check Price and Availability of V027-5222, 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 V027-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5222
  • 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 V027-5222 available by request