V031-2581 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide

V031-2581 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
V031-2581 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2581
N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide

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

V031-2581

Molecular Formula

C31H27N3O6S2 (C31 H27 N3 O6 S2)

Compound Name

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

IUPAC name

N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide

SMILES

Cc(cc1)cc(N(C(C(Nc(cc2)ccc2OC)=C2Sc3cccc(NS(c4ccccc4)(=O)=O)c3)=O)C2=O)c1OC

InChI

InChI=1S/C31H27N3O6S2/c1-20-12-17-27(40-3)26(18-20)34-30(35)28(32-21-13-15-23(39-2)16-14-21)29(31(34)36)41-24-9-7-8-22(19-24)33-42(37,38)25-10-5-4-6-11-25/h4-19,32-33H,1-3H3

InChI Key

HVGDDBAPXJASJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-5.10

Polar Surface Area

93.514

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

V031-2581 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 V031-2581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2581?
Check Price and Availability of V031-2581, 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 V031-2581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2581
  • 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 V031-2581 available by request