V028-3841 Screening compound: ethyl 4-[4-(3-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-yl]-4-oxobutanoate

V028-3841 Screening compound: ethyl 4-[4-(3-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-yl]-4-oxobutanoate
V028-3841 Screening compound: ethyl 4-[4-(3-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-yl]-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3841
ethyl 4-[4-(3-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-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

V028-3841

Molecular Formula

C20H26N2O5S (C20 H26 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCC(N(CC1)CCC1(N1c2cc(OC)ccc2)SCC1=O)=O)=O

InChI

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

InChI Key

BDBVYNIDKFJNKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975151

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

1.741

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.35

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

References: we are preparing a list of scientific research reports with V028-3841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3841?
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What is the minimum amount of V028-3841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3841
  • 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 V028-3841 available by request