V028-2863 Screening compound: 1-(1,3-benzodioxol-5-ylcarbonyl)-N~3~-(3-methoxypropyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide

V028-2863 Screening compound: 1-(1,3-benzodioxol-5-ylcarbonyl)-N~3~-(3-methoxypropyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide
V028-2863 Screening compound: 1-(1,3-benzodioxol-5-ylcarbonyl)-N~3~-(3-methoxypropyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2863
1-(1,3-benzodioxol-5-ylcarbonyl)-N~3~-(3-methoxypropyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide

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

V028-2863

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

1-(1,3-benzodioxol-5-ylcarbonyl)-N~3~-(3-methoxypropyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide

SMILES

Cc1ccc(C(CN(C2)C(c(cc3)cc4c3OCO4)=O)C2C(NCCCOC)=O)cc1

InChI

InChI=1S/C24H28N2O5/c1-16-4-6-17(7-5-16)19-13-26(14-20(19)23(27)25-10-3-11-29-2)24(28)18-8-9-21-22(12-18)31-15-30-21/h4-9,12,19-20H,3,10-11,13-15H2,1-2H3,(H,25,27)

InChI Key

XKGRREQRNULVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14260972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.13

Polar Surface Area

66.832

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

V028-2863 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2863?
Check Price and Availability of V028-2863, 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 V028-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2863
  • 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 V028-2863 available by request