V027-3769 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

V027-3769 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide
V027-3769 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3769
N-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-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

V027-3769

Molecular Formula

C28H24BrN3O3S (C28 H24 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCC1)Nc1cccc(SC(C(N(C2=O)c3ccccc3)=O)=C2Nc(cc2)ccc2Br)c1

InChI

InChI=1S/C28H24BrN3O3S/c29-19-13-15-20(16-14-19)30-24-25(28(35)32(27(24)34)22-10-2-1-3-11-22)36-23-12-6-9-21(17-23)31-26(33)18-7-4-5-8-18/h1-3,6,9-18,30H,4-5,7-8H2,(H,31,33)

InChI Key

FHQBHKSUBIOABJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496747

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

5.620

Water Solubility, LogSw

-5.69

Polar Surface Area

61.641

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V027-3769 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-3769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3769?
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What is the minimum amount of V027-3769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3769
  • 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 V027-3769 available by request