V001-9219 Screening compound: N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]acetamide

V001-9219 Screening compound: N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]acetamide
V001-9219 Screening compound: N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9219
N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]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

V001-9219

Molecular Formula

C33H36N2O4 (C33 H36 N2 O4)

Compound Name

N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]acetamide

IUPAC name

N-benzyl-N-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-2-[N-(3-methylbutyl)-1-(4-methylphenyl)formamido]acetamide

SMILES

CC(C)CCN(CC(N(Cc1ccccc1)CC1=COc(ccc(C)c2)c2C1=O)=O)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C33H36N2O4/c1-23(2)16-17-34(33(38)27-13-10-24(3)11-14-27)21-31(36)35(19-26-8-6-5-7-9-26)20-28-22-39-30-15-12-25(4)18-29(30)32(28)37/h5-15,18,22-23H,16-17,19-21H2,1-4H3

InChI Key

ZTPTUBPCXRBADV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.631

Distribution Coefficient, logD

5.631

Water Solubility, LogSw

-5.48

Polar Surface Area

53.005

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V001-9219 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with V001-9219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9219?
Check Price and Availability of V001-9219, 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 V001-9219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9219
  • 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 V001-9219 available by request