V030-4843 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

V030-4843 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
V030-4843 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4843
N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

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

V030-4843

Molecular Formula

C31H25N3O8S (C31 H25 N3 O8 S)

Compound Name

N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[4-({4-[(24-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-13-benzodioxole-5-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C31H25N3O8S/c1-38-20-8-11-23(25(15-20)39-2)33-27-28(31(37)34(30(27)36)16-21-4-3-13-40-21)43-22-9-6-19(7-10-22)32-29(35)18-5-12-24-26(14-18)42-17-41-24/h3-15,33H,16-17H2,1-2H3,(H,32,35)

InChI Key

YKMHBANYUCIJPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497707

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

599.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.961

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.62

Polar Surface Area

101.035

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V030-4843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4843?
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What is the minimum amount of V030-4843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4843
  • 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 V030-4843 available by request