V014-1287 Screening compound: 3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}urea

V014-1287 Screening compound: 3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}urea
V014-1287 Screening compound: 3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1287
3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}urea

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

V014-1287

Molecular Formula

C28H20ClF2N5O2 (C28 H20 ClF2 N5 O2)

Compound Name

3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}urea

IUPAC name

3-(3-chlorophenyl)-1-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-124-triazol-1-yl]phenyl}urea

SMILES

O=C(Nc(cc1)ccc1-n(c(-c1cc(F)ccc1)n1)nc1OCc(cc1)ccc1F)Nc1cccc(Cl)c1

InChI

InChI=1S/C28H20ClF2N5O2/c29-20-4-2-6-24(16-20)33-27(37)32-23-11-13-25(14-12-23)36-26(19-3-1-5-22(31)15-19)34-28(35-36)38-17-18-7-9-21(30)10-8-18/h1-16H,17H2,(H2,32,33,37)

InChI Key

NFQITGFLCPCNBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.865

Distribution Coefficient, logD

7.865

Water Solubility, LogSw

-6.74

Polar Surface Area

63.221

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

V014-1287 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 V014-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1287?
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What is the minimum amount of V014-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1287
  • 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 V014-1287 available by request