V009-5605 Screening compound: (2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide

V009-5605 Screening compound: (2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide
V009-5605 Screening compound: (2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5605
(2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide

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

V009-5605

Molecular Formula

C31H40N4O5 (C31 H40 N4 O5)

Compound Name

(2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCCCCC(N(CC1)C(C)CN1C(C(Cc1ccccc1)NC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C31H40N4O5/c1-3-4-5-6-10-13-30(37)34-21-20-33(23-24(34)2)31(38)28(22-26-11-8-7-9-12-26)32-29(36)19-16-25-14-17-27(18-15-25)35(39)40/h7-9,11-12,14-19,24,28H,3-6,10,13,20-23H2,1-2H3,(H,32,36)

InChI Key

UXAPHAMIBPCVRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19718076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.684

Water Solubility, LogSw

-5.26

Polar Surface Area

89.517

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

V009-5605 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-5605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5605?
Check Price and Availability of V009-5605, 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 V009-5605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5605
  • 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 V009-5605 available by request