V029-8493 Screening compound: methyl 2-({[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

V029-8493 Screening compound: methyl 2-({[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
V029-8493 Screening compound: methyl 2-({[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8493
methyl 2-({[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

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

V029-8493

Molecular Formula

C31H33N3O9S2 (C31 H33 N3 O9 S2)

Compound Name

methyl 2-({[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

IUPAC name

methyl 2-({[4-({4-[(24-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

SMILES

COCCCN(C(C(Nc(ccc(OC)c1)c1OC)=C1Sc(cc2)ccc2NS(Cc(cccc2)c2C(OC)=O)(=O)=O)=O)C1=O

InChI

InChI=1S/C31H33N3O9S2/c1-40-17-7-16-34-29(35)27(32-25-15-12-22(41-2)18-26(25)42-3)28(30(34)36)44-23-13-10-21(11-14-23)33-45(38,39)19-20-8-5-6-9-24(20)31(37)43-4/h5-6,8-15,18,32-33H,7,16-17,19H2,1-4H3

InChI Key

FQKKQCUKTWURLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497794

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

655.75

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.25

Polar Surface Area

125.122

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V029-8493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8493?
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What is the minimum amount of V029-8493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8493
  • 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 V029-8493 available by request