V005-0004 Screening compound: 2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide

V005-0004 Screening compound: 2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
V005-0004 Screening compound: 2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0004
2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)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

V005-0004

Molecular Formula

C29H28ClN5O6 (C29 H28 ClN5 O6)

Compound Name

2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide

IUPAC name

2-[8-(2-chloro-4-nitrobenzoyl)-4-oxo-1-phenyl-138-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN(CN(C2(CC3)CCN3C(c(ccc([N+]([O-])=O)c3)c3Cl)=O)c3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C29H28ClN5O6/c1-41-23-9-5-6-20(16-23)31-26(36)18-33-19-34(21-7-3-2-4-8-21)29(28(33)38)12-14-32(15-13-29)27(37)24-11-10-22(35(39)40)17-25(24)30/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,36)

InChI Key

WEJPBQWPORJCRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19725920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.74

Polar Surface Area

100.979

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V005-0004 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V005-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0004?
Check Price and Availability of V005-0004, 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 V005-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0004
  • 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 V005-0004 available by request