V028-4800 Screening compound: 2-chloro-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V028-4800 Screening compound: 2-chloro-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V028-4800 Screening compound: 2-chloro-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 V028-4800
2-chloro-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

V028-4800

Molecular Formula

C28H26ClN3O5S (C28 H26 ClN3 O5 S)

Compound Name

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

IUPAC name

2-chloro-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)=C1Sc2cccc(NC(c(cccc3)c3Cl)=O)c2)=O)C1=O

InChI

InChI=1S/C28H26ClN3O5S/c1-36-16-6-15-32-27(34)24(30-18-11-13-20(37-2)14-12-18)25(28(32)35)38-21-8-5-7-19(17-21)31-26(33)22-9-3-4-10-23(22)29/h3-5,7-14,17,30H,6,15-16H2,1-2H3,(H,31,33)

InChI Key

GEQIKRQMDYWCTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497438

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.76

Polar Surface Area

77.830

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V028-4800 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 V028-4800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4800?
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What is the minimum amount of V028-4800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4800
  • 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 V028-4800 available by request