V028-5112 Screening compound: 2,4-dimethoxy-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V028-5112 Screening compound: 2,4-dimethoxy-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V028-5112 Screening compound: 2,4-dimethoxy-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5112
2,4-dimethoxy-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

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

V028-5112

Molecular Formula

C30H31N3O7S (C30 H31 N3 O7 S)

Compound Name

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

IUPAC name

24-dimethoxy-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

COCCCN(C(C(Nc(cc1)ccc1OC)=C1Sc2cc(NC(c(ccc(OC)c3)c3OC)=O)ccc2)=O)C1=O

InChI

InChI=1S/C30H31N3O7S/c1-37-16-6-15-33-29(35)26(31-19-9-11-21(38-2)12-10-19)27(30(33)36)41-23-8-5-7-20(17-23)32-28(34)24-14-13-22(39-3)18-25(24)40-4/h5,7-14,17-18,31H,6,15-16H2,1-4H3,(H,32,34)

InChI Key

XGNRWLAEFVONBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497638

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.25

Polar Surface Area

93.004

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V028-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5112?
Check Price and Availability of V028-5112, 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 V028-5112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5112
  • 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 V028-5112 available by request