V030-6920 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide

V030-6920 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
V030-6920 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6920
N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide

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

V030-6920

Molecular Formula

C32H29N3O6S (C32 H29 N3 O6 S)

Compound Name

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

IUPAC name

N-[3-({4-[(34-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-24-dimethoxybenzamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c(ccc(OC)c2)c2OC)=O)ccc1

InChI

InChI=1S/C32H29N3O6S/c1-19-10-11-22(15-20(19)2)33-28-29(32(38)35(31(28)37)18-24-8-6-14-41-24)42-25-9-5-7-21(16-25)34-30(36)26-13-12-23(39-3)17-27(26)40-4/h5-17,33H,18H2,1-4H3,(H,34,36)

InChI Key

JFEBHGISKOVARW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497645

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.873

Distribution Coefficient, logD

5.872

Water Solubility, LogSw

-5.48

Polar Surface Area

84.617

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

V030-6920 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-6920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6920?
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What is the minimum amount of V030-6920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6920
  • 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 V030-6920 available by request