V029-3322 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

V029-3322 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide
V029-3322 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3322
N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

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

V029-3322

Molecular Formula

C31H33N3O6S (C31 H33 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C(C(Nc(ccc(OC)c1)c1OC)=C1Sc2cc(NC(CCc3ccccc3)=O)ccc2)=O)C1=O

InChI

InChI=1S/C31H33N3O6S/c1-38-18-8-17-34-30(36)28(33-25-15-14-23(39-2)20-26(25)40-3)29(31(34)37)41-24-12-7-11-22(19-24)32-27(35)16-13-21-9-5-4-6-10-21/h4-7,9-12,14-15,19-20,33H,8,13,16-18H2,1-3H3,(H,32,35)

InChI Key

IIHIGXJPKYXTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497342

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.42

Polar Surface Area

84.549

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 V029-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3322?
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What is the minimum amount of V029-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3322
  • 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 V029-3322 available by request