V026-5464 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

V026-5464 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
V026-5464 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5464
N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

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

V026-5464

Molecular Formula

C28H25N3O6S (C28 H25 N3 O6 S)

Compound Name

N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(4-{[1-(3-methoxypropyl)-25-dioxo-4-(phenylamino)-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

COCCCN(C(C(Nc1ccccc1)=C1Sc(cc2)ccc2NC(c(cc2)cc3c2OCO3)=O)=O)C1=O

InChI

InChI=1S/C28H25N3O6S/c1-35-15-5-14-31-27(33)24(29-19-6-3-2-4-7-19)25(28(31)34)38-21-11-9-20(10-12-21)30-26(32)18-8-13-22-23(16-18)37-17-36-22/h2-4,6-13,16,29H,5,14-15,17H2,1H3,(H,30,32)

InChI Key

JGSSROCOLGSYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497033

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.09

Polar Surface Area

87.402

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V026-5464 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V026-5464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5464?
Check Price and Availability of V026-5464, 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 V026-5464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5464
  • 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 V026-5464 available by request