V027-9229 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V027-9229 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V027-9229 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9229
N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-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

V027-9229

Molecular Formula

C28H26BrN3O5S (C28 H26 BrN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C(C(Nc(cc1)ccc1Br)=C1Sc2cc(NC(c3cc(OC)ccc3)=O)ccc2)=O)C1=O

InChI

InChI=1S/C28H26BrN3O5S/c1-36-15-5-14-32-27(34)24(30-20-12-10-19(29)11-13-20)25(28(32)35)38-23-9-4-7-21(17-23)31-26(33)18-6-3-8-22(16-18)37-2/h3-4,6-13,16-17,30H,5,14-15H2,1-2H3,(H,31,33)

InChI Key

LVJOEIGPFZZACT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497662

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

596.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.040

Water Solubility, LogSw

-4.80

Polar Surface Area

77.830

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V027-9229 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V027-9229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9229?
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What is the minimum amount of V027-9229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9229
  • 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 V027-9229 available by request