V030-6942 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

V030-6942 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
V030-6942 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6942
N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-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

V030-6942

Molecular Formula

C28H25N3O5S (C28 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C(C(Nc1ccc(C)cc1)=C1Sc(cc2)ccc2NC(c(cc2)cc3c2OCO3)=O)=O)C1=O

InChI

InChI=1S/C28H25N3O5S/c1-16(2)31-27(33)24(29-19-7-4-17(3)5-8-19)25(28(31)34)37-21-11-9-20(10-12-21)30-26(32)18-6-13-22-23(14-18)36-15-35-22/h4-14,16,29H,15H2,1-3H3,(H,30,32)

InChI Key

ZUKIMSYTZLLGQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497035

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.02

Polar Surface Area

78.802

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V030-6942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6942?
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What is the minimum amount of V030-6942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6942
  • 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 V030-6942 available by request