V029-7946 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-7946 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-7946 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7946
N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V029-7946

Molecular Formula

C30H24FN5O3S (C30 H24 FN5 O3 S)

Compound Name

N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc1cccc(-n2c(SCc(cccc3)c3C(NCc(cc3)ccc3F)=O)nnc2-c(cc2)ccc2[N+]([O-])=O)c1

InChI

InChI=1S/C30H24FN5O3S/c1-20-5-4-7-26(17-20)35-28(22-11-15-25(16-12-22)36(38)39)33-34-30(35)40-19-23-6-2-3-8-27(23)29(37)32-18-21-9-13-24(31)14-10-21/h2-17H,18-19H2,1H3,(H,32,37)

InChI Key

TYLWSOASHUDEDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633366

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.838

Distribution Coefficient, logD

6.838

Water Solubility, LogSw

-5.66

Polar Surface Area

82.507

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V029-7946 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-7946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7946?
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What is the minimum amount of V029-7946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7946
  • 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 V029-7946 available by request