V029-6014 Screening compound: N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V029-6014 Screening compound: N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V029-6014 Screening compound: N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6014
N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

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

V029-6014

Molecular Formula

C31H25N3O4S (C31 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

Cc(cc1)cc(NC(C(N(C2=O)c3ccccc3)=O)=C2Sc2cc(NC(c3ccccc3)=O)ccc2)c1OC

InChI

InChI=1S/C31H25N3O4S/c1-20-16-17-26(38-2)25(18-20)33-27-28(31(37)34(30(27)36)23-13-7-4-8-14-23)39-24-15-9-12-22(19-24)32-29(35)21-10-5-3-6-11-21/h3-19,33H,1-2H3,(H,32,35)

InChI Key

PERMFQHUPSHCGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496732

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-4.76

Polar Surface Area

68.015

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

References: we are preparing a list of scientific research reports with V029-6014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6014?
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What is the minimum amount of V029-6014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6014
  • 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 V029-6014 available by request