V003-3983 Screening compound: 1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-3-(2,5-DIMETHOXYPHENYL)-4-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE

V003-3983 Screening compound: 1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-3-(2,5-DIMETHOXYPHENYL)-4-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE
V003-3983 Screening compound: 1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-3-(2,5-DIMETHOXYPHENYL)-4-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3983
1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-3-(2,5-DIMETHOXYPHENYL)-4-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE

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

V003-3983

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

1-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-3-(2,5-DIMETHOXYPHENYL)-4-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-3-(25-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidine

SMILES

COc(cc1)cc(C(CN(C2)C(c(cc3)cc4c3OCO4)=O)C2C(N2CCCC2)=O)c1OC

InChI

InChI=1S/C25H28N2O6/c1-30-17-6-8-21(31-2)18(12-17)19-13-27(14-20(19)25(29)26-9-3-4-10-26)24(28)16-5-7-22-23(11-16)33-15-32-22/h5-8,11-12,19-20H,3-4,9-10,13-15H2,1-2H3

InChI Key

ONPOPBNYELCCPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.21

Polar Surface Area

66.152

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V003-3983 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-3983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3983?
Check Price and Availability of V003-3983, 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 V003-3983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3983
  • 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 V003-3983 available by request