V027-9653 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V027-9653 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V027-9653 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9653
N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-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

V027-9653

Molecular Formula

C30H25N3O5S (C30 H25 N3 O5 S)

Compound Name

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

IUPAC name

N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

SMILES

Cc(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c2cc(OC)ccc2)=O)ccc1

InChI

InChI=1S/C30H25N3O5S/c1-19-11-13-21(14-12-19)31-26-27(30(36)33(29(26)35)18-24-9-5-15-38-24)39-25-10-4-7-22(17-25)32-28(34)20-6-3-8-23(16-20)37-2/h3-17,31H,18H2,1-2H3,(H,32,34)

InChI Key

ZUBQDBKPKGCPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497256

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.61

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

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.30

Polar Surface Area

76.987

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V027-9653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9653?
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What is the minimum amount of V027-9653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9653
  • 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 V027-9653 available by request