V027-5610 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V027-5610 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V027-5610 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5610
N-[3-({4-[(4-bromophenyl)amino]-1-(4-fluorophenyl)-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

V027-5610

Molecular Formula

C30H21BrFN3O4S (C30 H21 BrFN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(Nc2cccc(SC(C(N(C3=O)c(cc4)ccc4F)=O)=C3Nc(cc3)ccc3Br)c2)=O)c1

InChI

InChI=1S/C30H21BrFN3O4S/c1-39-24-6-2-4-18(16-24)28(36)34-22-5-3-7-25(17-22)40-27-26(33-21-12-8-19(31)9-13-21)29(37)35(30(27)38)23-14-10-20(32)11-15-23/h2-17,33H,1H3,(H,34,36)

InChI Key

KWBTUGYNYREHFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496590

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

618.48

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

6.064

Distribution Coefficient, logD

6.064

Water Solubility, LogSw

-5.59

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

V027-5610 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 V027-5610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5610?
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What is the minimum amount of V027-5610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5610
  • 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 V027-5610 available by request