V028-5029 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide

V028-5029 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
V028-5029 Screening compound: N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5029
N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide

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

V028-5029

Molecular Formula

C29H29N3O5S (C29 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc1cccc(SC(C(N(CCCOC)C2=O)=O)=C2Nc(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C29H29N3O5S/c1-19-8-10-20(11-9-19)27(33)31-22-6-4-7-24(18-22)38-26-25(30-21-12-14-23(37-3)15-13-21)28(34)32(29(26)35)16-5-17-36-2/h4,6-15,18,30H,5,16-17H2,1-3H3,(H,31,33)

InChI Key

JZOYYIUKXOFPIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497582

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.63

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

4.605

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.27

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

20.70

References: we are preparing a list of scientific research reports with V028-5029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5029?
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What is the minimum amount of V028-5029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5029
  • 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 V028-5029 available by request