V014-4151 Screening compound: ethyl 2-({[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V014-4151 Screening compound: ethyl 2-({[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V014-4151 Screening compound: ethyl 2-({[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4151
ethyl 2-({[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

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

V014-4151

Molecular Formula

C26H22FN3O4S (C26 H22 FN3 O4 S)

Compound Name

ethyl 2-({[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-({[2-(3-fluorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-1-[(furan-2-yl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccco1)c(SCc1c(C)oc(-c3cc(F)ccc3)n1)n2)=O

InChI

InChI=1S/C26H22FN3O4S/c1-3-32-25(31)18-9-10-23-21(13-18)29-26(30(23)14-20-8-5-11-33-20)35-15-22-16(2)34-24(28-22)17-6-4-7-19(27)12-17/h4-13H,3,14-15H2,1-2H3

InChI Key

STCOQHUPANCVDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464832

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.448

Distribution Coefficient, logD

6.263

Water Solubility, LogSw

-5.68

Polar Surface Area

57.102

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V014-4151 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 V014-4151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4151?
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What is the minimum amount of V014-4151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4151
  • 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 V014-4151 available by request