Y041-5030 Screening compound: N3-[2-(4-fluorophenyl)ethyl]-N4-(1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl)pyridine-3,4-dicarboxamide

Y041-5030 Screening compound: N3-[2-(4-fluorophenyl)ethyl]-N4-(1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl)pyridine-3,4-dicarboxamide
Y041-5030 Screening compound: N3-[2-(4-fluorophenyl)ethyl]-N4-(1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl)pyridine-3,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5030
N3-[2-(4-fluorophenyl)ethyl]-N4-(1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl)pyridine-3,4-dicarboxamide

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

Y041-5030

Molecular Formula

C28H30F2N4O3 (C28 H30 F2 N4 O3)

Compound Name

N3-[2-(4-fluorophenyl)ethyl]-N4-(1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl)pyridine-3,4-dicarboxamide

IUPAC name

N3-[2-(4-fluorophenyl)ethyl]-N4-[(1S)-1-{[2-(4-fluorophenyl)ethyl]carbamoyl}-2-methylpropyl]pyridine-34-dicarboxamide

SMILES

CC(C)C(C(NCCc(cc1)ccc1F)=O)NC(c(ccnc1)c1C(NCCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C28H30F2N4O3/c1-18(2)25(28(37)33-16-12-20-5-9-22(30)10-6-20)34-27(36)23-13-14-31-17-24(23)26(35)32-15-11-19-3-7-21(29)8-4-19/h3-10,13-14,17-18,25H,11-12,15-16H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t25-/m0/s1

InChI Key

MBPLWSGLRDEKDM-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.17

Polar Surface Area

82.303

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

Y041-5030 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-5030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5030?
Check Price and Availability of Y041-5030, 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 Y041-5030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5030
  • 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 Y041-5030 available by request