V031-0521 Screening compound: 2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide

V031-0521 Screening compound: 2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide
V031-0521 Screening compound: 2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0521
2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide

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

V031-0521

Molecular Formula

C31H34N4O4 (C31 H34 N4 O4)

Compound Name

2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide

IUPAC name

2-[8-(2-methoxybenzoyl)-4-oxo-1-phenyl-138-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CN(CN(C1(CC2)CCN2C(c(cccc2)c2OC)=O)c2ccccc2)C1=O)=O

InChI

InChI=1S/C31H34N4O4/c1-23(24-11-5-3-6-12-24)32-28(36)21-34-22-35(25-13-7-4-8-14-25)31(30(34)38)17-19-33(20-18-31)29(37)26-15-9-10-16-27(26)39-2/h3-16,23H,17-22H2,1-2H3,(H,32,36)/t23-/m0/s1

InChI Key

XIOMCXAEBUDUGD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19728767

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.78

Polar Surface Area

68.169

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V031-0521 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V031-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0521?
Check Price and Availability of V031-0521, 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 V031-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0521
  • 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 V031-0521 available by request