V021-1652 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate

V021-1652 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
V021-1652 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1652
ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate

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

V021-1652

Molecular Formula

C20H26N2O5S (C20 H26 N2 O5 S)

Compound Name

ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate

IUPAC name

ethyl 4-[4-(4-methoxyphenyl)-3-oxo-1-thia-48-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate

SMILES

CCOC(CCC(N(CC1)CCC1(N1c(cc2)ccc2OC)SCC1=O)=O)=O

InChI

InChI=1S/C20H26N2O5S/c1-3-27-19(25)9-8-17(23)21-12-10-20(11-13-21)22(18(24)14-28-20)15-4-6-16(26-2)7-5-15/h4-7H,3,8-14H2,1-2H3

InChI Key

YMYRFJZFXBAMMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.19

Polar Surface Area

60.014

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

V021-1652 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 V021-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1652?
Check Price and Availability of V021-1652, 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 V021-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1652
  • 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 V021-1652 available by request