V029-2477 Screening compound: 4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

V029-2477 Screening compound: 4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
V029-2477 Screening compound: 4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2477
4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-3-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

V029-2477

Molecular Formula

C23H24N2O2S (C23 H24 N2 O2 S)

Compound Name

4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

IUPAC name

4-(4-methylphenyl)-8-[(2E)-3-phenylprop-2-enoyl]-1-thia-48-diazaspiro[4.5]decan-3-one

SMILES

Cc(cc1)ccc1N(C(CC1)(CCN1C(/C=C/c1ccccc1)=O)SC1)C1=O

InChI

InChI=1S/C23H24N2O2S/c1-18-7-10-20(11-8-18)25-22(27)17-28-23(25)13-15-24(16-14-23)21(26)12-9-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3

InChI Key

UHEJJFCVHJAYGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.95

Polar Surface Area

32.040

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V029-2477 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V029-2477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2477?
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What is the minimum amount of V029-2477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2477
  • 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 V029-2477 available by request