V005-2401 Screening compound: ethyl 2-{3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-5-(3-phenylpropanamido)-1H-indol-1-yl}acetate

V005-2401 Screening compound: ethyl 2-{3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-5-(3-phenylpropanamido)-1H-indol-1-yl}acetate
V005-2401 Screening compound: ethyl 2-{3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-5-(3-phenylpropanamido)-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2401
ethyl 2-{3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-5-(3-phenylpropanamido)-1H-indol-1-yl}acetate

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

V005-2401

Molecular Formula

C32H31N3O5 (C32 H31 N3 O5)

Compound Name

ethyl 2-{3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetyl]-5-(3-phenylpropanamido)-1H-indol-1-yl}acetate

IUPAC name

n/a

SMILES

CCOC(Cn1c(ccc(NC(CCc2ccccc2)=O)c2)c2c(C(C(N(CC2)Cc3c2cccc3)=O)=O)c1)=O

InChI

InChI=1S/C32H31N3O5/c1-2-40-30(37)21-35-20-27(31(38)32(39)34-17-16-23-10-6-7-11-24(23)19-34)26-18-25(13-14-28(26)35)33-29(36)15-12-22-8-4-3-5-9-22/h3-11,13-14,18,20H,2,12,15-17,19,21H2,1H3,(H,33,36)

InChI Key

HOADMGZIYITTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.26

Polar Surface Area

75.327

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V005-2401 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2401?
Check Price and Availability of V005-2401, 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 V005-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2401
  • 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 V005-2401 available by request