V002-8551 Screening compound: 2-[(4-cyanobenzyl)(3-methoxypropyl)amino]-N~1~-[(5-methyl-2-furyl)methyl]-N~1~-phenethylacetamide

V002-8551 Screening compound: 2-[(4-cyanobenzyl)(3-methoxypropyl)amino]-N~1~-[(5-methyl-2-furyl)methyl]-N~1~-phenethylacetamide
V002-8551 Screening compound: 2-[(4-cyanobenzyl)(3-methoxypropyl)amino]-N~1~-[(5-methyl-2-furyl)methyl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8551
2-[(4-cyanobenzyl)(3-methoxypropyl)amino]-N~1~-[(5-methyl-2-furyl)methyl]-N~1~-phenethylacetamide

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

V002-8551

Molecular Formula

C28H33N3O3 (C28 H33 N3 O3)

Compound Name

2-[(4-cyanobenzyl)(3-methoxypropyl)amino]-N~1~-[(5-methyl-2-furyl)methyl]-N~1~-phenethylacetamide

IUPAC name

n/a

SMILES

Cc1ccc(CN(CCc2ccccc2)C(CN(CCCOC)Cc(cc2)ccc2C#N)=O)o1

InChI

InChI=1S/C28H33N3O3/c1-23-9-14-27(34-23)21-31(17-15-24-7-4-3-5-8-24)28(32)22-30(16-6-18-33-2)20-26-12-10-25(19-29)11-13-26/h3-5,7-14H,6,15-18,20-22H2,1-2H3

InChI Key

OFNALFHURFPSKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.05

Polar Surface Area

52.252

Acid Dissociation Constant (pKa)

22.53

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V002-8551 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V002-8551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8551?
Check Price and Availability of V002-8551, 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 V002-8551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8551
  • 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 V002-8551 available by request