V018-4113 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide

V018-4113 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide
V018-4113 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4113
3-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)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

V018-4113

Molecular Formula

C26H22N2O5 (C26 H22 N2 O5)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide

IUPAC name

3-(2H-13-benzodioxol-5-yl)-N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c(cc1)cc2c1OCO2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H22N2O5/c29-26(28-12-16-5-7-22-24(9-16)32-14-30-22)11-19(17-6-8-23-25(10-17)33-15-31-23)20-13-27-21-4-2-1-3-18(20)21/h1-10,13,19,27H,11-12,14-15H2,(H,28,29)/t19-/m1/s1

InChI Key

NEOQUXSDSNZVDF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10462530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.56

Polar Surface Area

68.269

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V018-4113 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 V018-4113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4113?
Check Price and Availability of V018-4113, 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 V018-4113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4113
  • 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 V018-4113 available by request