V021-1419 Screening compound: ethyl 4-[3-(2H-1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate

V021-1419 Screening compound: ethyl 4-[3-(2H-1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
V021-1419 Screening compound: ethyl 4-[3-(2H-1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1419
ethyl 4-[3-(2H-1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate

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

V021-1419

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

ethyl 4-[3-(2H-1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(2H-13-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CC(c1c[nH]c2c1cccc2)c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C25H27N3O5/c1-2-31-25(30)28-11-9-27(10-12-28)24(29)14-19(17-7-8-22-23(13-17)33-16-32-22)20-15-26-21-6-4-3-5-18(20)21/h3-8,13,15,19,26H,2,9-12,14,16H2,1H3/t19-/m1/s1

InChI Key

FERFFNNYLQWLIV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10462527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-3.99

Polar Surface Area

65.854

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V021-1419 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V021-1419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1419?
Check Price and Availability of V021-1419, 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 V021-1419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1419
  • 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 V021-1419 available by request