V028-0671 Screening compound: 3-(2-methylpropyl)-8-(propane-2-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

V028-0671 Screening compound: 3-(2-methylpropyl)-8-(propane-2-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
V028-0671 Screening compound: 3-(2-methylpropyl)-8-(propane-2-sulfonyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0671
3-(2-methylpropyl)-8-(propane-2-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

V028-0671

Molecular Formula

C22H32F3N3O3S (C22 H32 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H32F3N3O3S/c1-15(2)12-19-20(29)28(14-17-6-5-7-18(13-17)22(23,24)25)21(26-19)8-10-27(11-9-21)32(30,31)16(3)4/h5-7,13,15-16,19,26H,8-12,14H2,1-4H3/t19-/m1/s1

InChI Key

JDNBZBCXJZCBFO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19816546

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.24

Polar Surface Area

60.654

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

References: we are preparing a list of scientific research reports with V028-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0671?
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What is the minimum amount of V028-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0671
  • 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 V028-0671 available by request