V028-4445 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

V028-4445 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide
V028-4445 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4445
N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

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

V028-4445

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCC1)Nc(cc1)ccc1SC(C(N(Cc1ccco1)C1=O)=O)=C1Nc1ccccc1

InChI

InChI=1S/C27H25N3O4S/c31-25(18-7-4-5-8-18)29-20-12-14-22(15-13-20)35-24-23(28-19-9-2-1-3-10-19)26(32)30(27(24)33)17-21-11-6-16-34-21/h1-3,6,9-16,18,28H,4-5,7-8,17H2,(H,29,31)

InChI Key

HXJYVGRTKJAHDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496735

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.58

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

4.548

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.32

Polar Surface Area

70.001

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V028-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4445?
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What is the minimum amount of V028-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4445
  • 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 V028-4445 available by request