V028-7788 Screening compound: 8-(4-chlorobutanoyl)-4-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

V028-7788 Screening compound: 8-(4-chlorobutanoyl)-4-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
V028-7788 Screening compound: 8-(4-chlorobutanoyl)-4-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7788
8-(4-chlorobutanoyl)-4-(2-phenylethyl)-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

V028-7788

Molecular Formula

C19H25ClN2O2S (C19 H25 ClN2 O2 S)

Compound Name

8-(4-chlorobutanoyl)-4-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

IUPAC name

8-(4-chlorobutanoyl)-4-(2-phenylethyl)-1-thia-48-diazaspiro[4.5]decan-3-one

SMILES

O=C(CCCCl)N(CC1)CCC1(N1CCc2ccccc2)SCC1=O

InChI

InChI=1S/C19H25ClN2O2S/c20-11-4-7-17(23)21-13-9-19(10-14-21)22(18(24)15-25-19)12-8-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2

InChI Key

HUCIKXVNFMLMAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-2.83

Polar Surface Area

32.902

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

V028-7788 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with V028-7788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7788?
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What is the minimum amount of V028-7788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7788
  • 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 V028-7788 available by request