V031-1901 Screening compound: N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V031-1901 Screening compound: N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V031-1901 Screening compound: N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1901
N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-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

V031-1901

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

N-benzyl-4-(4-methylbenzoyl)-8-propanoyl-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CCC(N(CC1)CCC11OCC(C(NCc2ccccc2)=O)N1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H31N3O4/c1-3-23(30)28-15-13-26(14-16-28)29(25(32)21-11-9-19(2)10-12-21)22(18-33-26)24(31)27-17-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3,(H,27,31)/t22-/m0/s1

InChI Key

JIOCGRATQQEQBG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19977828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.62

Polar Surface Area

63.739

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with V031-1901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1901?
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What is the minimum amount of V031-1901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1901
  • 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 V031-1901 available by request