V030-5614 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

V030-5614 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
V030-5614 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5614
N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

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

V030-5614

Molecular Formula

C32H26N4O8S (C32 H26 N4 O8 S)

Compound Name

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

IUPAC name

N-[4-({4-[(24-dimethoxyphenyl)amino]-1-(4-methoxyphenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

SMILES

COc(cc1)ccc1N(C(C(Nc(ccc(OC)c1)c1OC)=C1Sc(cc2)ccc2NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)C1=O

InChI

InChI=1S/C32H26N4O8S/c1-42-23-12-10-21(11-13-23)35-31(38)28(34-26-17-14-24(43-2)18-27(26)44-3)29(32(35)39)45-25-15-6-20(7-16-25)33-30(37)19-4-8-22(9-5-19)36(40)41/h4-18,34H,1-3H3,(H,33,37)

InChI Key

XPXGLMPLUUZHQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497667

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

626.65

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.10

Polar Surface Area

116.484

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with V030-5614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5614?
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What is the minimum amount of V030-5614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5614
  • 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 V030-5614 available by request