V027-4081 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-chlorobenzamide

V027-4081 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-chlorobenzamide
V027-4081 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4081
N-[4-({4-[(4-bromophenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-chlorobenzamide

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

V027-4081

Molecular Formula

C28H19BrClN3O4S (C28 H19 BrClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)Nc(cc1)ccc1SC(C(N(Cc1ccco1)C1=O)=O)=C1Nc(cc1)ccc1Br

InChI

InChI=1S/C28H19BrClN3O4S/c29-18-5-9-20(10-6-18)31-24-25(28(36)33(27(24)35)16-22-2-1-15-37-22)38-23-13-11-21(12-14-23)32-26(34)17-3-7-19(30)8-4-17/h1-15,31H,16H2,(H,32,34)

InChI Key

ROIKZTQWKOLKAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497352

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

608.9

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

6.399

Distribution Coefficient, logD

6.383

Water Solubility, LogSw

-6.47

Polar Surface Area

69.443

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with V027-4081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4081?
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What is the minimum amount of V027-4081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4081
  • 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 V027-4081 available by request