V029-5589 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide

V029-5589 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
V029-5589 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5589
N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-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

V029-5589

Molecular Formula

C34H31N3O7S (C34 H31 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(ccc(OC)c2)c2OC)=O)=C1Sc(cc1)ccc1NC(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C34H31N3O7S/c1-20-6-8-21(9-7-20)35-30-31(34(40)37(33(30)39)27-17-13-24(42-3)19-29(27)44-5)45-25-14-10-22(11-15-25)36-32(38)26-16-12-23(41-2)18-28(26)43-4/h6-19,35H,1-5H3,(H,36,38)

InChI Key

NSFNPJDGIVLBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497821

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

625.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.831

Water Solubility, LogSw

-5.56

Polar Surface Area

91.130

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

References: we are preparing a list of scientific research reports with V029-5589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5589?
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What is the minimum amount of V029-5589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5589
  • 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 V029-5589 available by request