V029-7847 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

V029-7847 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide
V029-7847 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7847
N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

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

V029-7847

Molecular Formula

C33H28FN3O5S (C33 H28 FN3 O5 S)

Compound Name

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

IUPAC name

N-[4-({4-[(24-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

SMILES

COc(cc1)cc(OC)c1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc(cc1)ccc1NC(CCc1ccccc1)=O

InChI

InChI=1S/C33H28FN3O5S/c1-41-25-15-18-27(28(20-25)42-2)36-30-31(33(40)37(32(30)39)24-13-9-22(34)10-14-24)43-26-16-11-23(12-17-26)35-29(38)19-8-21-6-4-3-5-7-21/h3-7,9-18,20,36H,8,19H2,1-2H3,(H,35,38)

InChI Key

PANZPJFOBODNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497503

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

597.67

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

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.45

Polar Surface Area

75.345

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V029-7847 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-7847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7847?
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What is the minimum amount of V029-7847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7847
  • 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 V029-7847 available by request