V008-8169 Screening compound: 8-(3-bromobenzoyl)-4-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

V008-8169 Screening compound: 8-(3-bromobenzoyl)-4-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
V008-8169 Screening compound: 8-(3-bromobenzoyl)-4-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8169
8-(3-bromobenzoyl)-4-(4-chlorophenyl)-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

V008-8169

Molecular Formula

C20H18BrClN2O2S (C20 H18 BrClN2 O2 S)

Compound Name

8-(3-bromobenzoyl)-4-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

IUPAC name

8-(3-bromobenzoyl)-4-(4-chlorophenyl)-1-thia-48-diazaspiro[4.5]decan-3-one

SMILES

O=C(c1cccc(Br)c1)N(CC1)CCC1(N1c(cc2)ccc2Cl)SCC1=O

InChI

InChI=1S/C20H18BrClN2O2S/c21-15-3-1-2-14(12-15)19(26)23-10-8-20(9-11-23)24(18(25)13-27-20)17-6-4-16(22)5-7-17/h1-7,12H,8-11,13H2

InChI Key

ZPNRJOCRASJPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.39

Polar Surface Area

32.568

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V008-8169 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-8169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8169?
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What is the minimum amount of V008-8169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8169
  • 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 V008-8169 available by request