V027-5544 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide

V027-5544 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide
V027-5544 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5544
N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide

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

V027-5544

Molecular Formula

C29H18BrF2N3O3S (C29 H18 BrF2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)Nc1cccc(SC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Nc(cc2)ccc2Br)c1

InChI

InChI=1S/C29H18BrF2N3O3S/c30-18-6-12-21(13-7-18)33-25-26(29(38)35(28(25)37)23-14-10-20(32)11-15-23)39-24-3-1-2-22(16-24)34-27(36)17-4-8-19(31)9-5-17/h1-16,33H,(H,34,36)

InChI Key

GQOFZNCHLOLLFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496462

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

606.45

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

6.031

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-6.09

Polar Surface Area

61.082

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

V027-5544 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V027-5544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5544?
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What is the minimum amount of V027-5544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5544
  • 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 V027-5544 available by request