V005-8881 Screening compound: 8-(2-chloroacetyl)-4-(2-methoxyethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

V005-8881 Screening compound: 8-(2-chloroacetyl)-4-(2-methoxyethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
V005-8881 Screening compound: 8-(2-chloroacetyl)-4-(2-methoxyethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8881
8-(2-chloroacetyl)-4-(2-methoxyethyl)-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

V005-8881

Molecular Formula

C12H19ClN2O3S (C12 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C(CC1)(CCN1C(CCl)=O)SC1)C1=O

InChI

InChI=1S/C12H19ClN2O3S/c1-18-7-6-15-11(17)9-19-12(15)2-4-14(5-3-12)10(16)8-13/h2-9H2,1H3

InChI Key

LRRGJCVCAIYQLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19974970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.106

Distribution Coefficient, logD

0.106

Water Solubility, LogSw

-0.80

Polar Surface Area

41.516

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

V005-8881 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-8881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8881?
Check Price and Availability of V005-8881, 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 V005-8881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8881
  • 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 V005-8881 available by request