V002-5041 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide

V002-5041 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide
V002-5041 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5041
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide

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

V002-5041

Molecular Formula

C34H31N3O (C34 H31 N3 O)

Compound Name

3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide

IUPAC name

3-{1-[4-(cyanomethyl)phenyl]-5-(24-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(naphthalen-1-yl)methyl]propanamide

SMILES

Cc(cc1)cc(C)c1-c1ccc(CCC(NCc2cccc3ccccc23)=O)n1-c1ccc(CC#N)cc1

InChI

InChI=1S/C34H31N3O/c1-24-10-17-31(25(2)22-24)33-18-15-30(37(33)29-13-11-26(12-14-29)20-21-35)16-19-34(38)36-23-28-8-5-7-27-6-3-4-9-32(27)28/h3-15,17-18,22H,16,19-20,23H2,1-2H3,(H,36,38)

InChI Key

REVJIQQAQNBILS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.939

Distribution Coefficient, logD

6.939

Water Solubility, LogSw

-6.67

Polar Surface Area

42.816

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

V002-5041 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 V002-5041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5041?
Check Price and Availability of V002-5041, 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 V002-5041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5041
  • 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 V002-5041 available by request