V017-3808 Screening compound: 4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V017-3808 Screening compound: 4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V017-3808 Screening compound: 4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3808
4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

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

V017-3808

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

4-benzoyl-8-(2-methylpropanoyl)-N-[2-(thiophen-2-yl)ethyl]-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)C(N(CC1)CCC11OCC(C(NCCc2cccs2)=O)N1C(c1ccccc1)=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-18(2)23(30)27-14-11-25(12-15-27)28(24(31)19-7-4-3-5-8-19)21(17-32-25)22(29)26-13-10-20-9-6-16-33-20/h3-9,16,18,21H,10-15,17H2,1-2H3,(H,26,29)/t21-/m0/s1

InChI Key

VHGDRGKNMUBYTK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19972920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-2.78

Polar Surface Area

65.127

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V017-3808 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3808?
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What is the minimum amount of V017-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3808
  • 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 V017-3808 available by request