V029-9098 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V029-9098 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V029-9098 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9098
N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

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

V029-9098

Molecular Formula

C33H29N3O5S (C33 H29 N3 O5 S)

Compound Name

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

IUPAC name

N-[4-({4-[(34-dimethylphenyl)amino]-1-(4-methoxyphenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(C1=O)c(cc2)ccc2OC)=O)=C1Sc(cc1)ccc1NC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C33H29N3O5S/c1-20-8-9-24(18-21(20)2)34-29-30(33(39)36(32(29)38)25-12-14-26(40-3)15-13-25)42-28-16-10-23(11-17-28)35-31(37)22-6-5-7-27(19-22)41-4/h5-19,34H,1-4H3,(H,35,37)

InChI Key

GRJYFOUGSKPCER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497652

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.280

Distribution Coefficient, logD

6.280

Water Solubility, LogSw

-5.59

Polar Surface Area

76.170

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with V029-9098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9098?
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What is the minimum amount of V029-9098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9098
  • 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 V029-9098 available by request