V026-5253 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

V026-5253 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
V026-5253 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5253
N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

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

V026-5253

Molecular Formula

C28H26N4O6S (C28 H26 N4 O6 S)

Compound Name

N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

IUPAC name

N-[3-({4-[(4-methoxyphenyl)amino]-1-(2-methylpropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

SMILES

CC(C)CN(C(C(Nc(cc1)ccc1OC)=C1Sc2cc(NC(c(cc3)ccc3[N+]([O-])=O)=O)ccc2)=O)C1=O

InChI

InChI=1S/C28H26N4O6S/c1-17(2)16-31-27(34)24(29-19-9-13-22(38-3)14-10-19)25(28(31)35)39-23-6-4-5-20(15-23)30-26(33)18-7-11-21(12-8-18)32(36)37/h4-15,17,29H,16H2,1-3H3,(H,30,33)

InChI Key

ROBDRMGLEXSYBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27631845

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-4.99

Polar Surface Area

102.891

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V026-5253 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V026-5253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5253?
Check Price and Availability of V026-5253, 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 V026-5253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5253
  • 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 V026-5253 available by request