V013-9534 Screening compound: 1-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)urea

V013-9534 Screening compound: 1-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)urea
V013-9534 Screening compound: 1-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9534
1-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)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

V013-9534

Molecular Formula

C30H23F4N5O3 (C30 H23 F4 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(Nc(cc2)ccc2-n(c(-c2ccc(C(F)(F)F)cc2)n2)nc2OCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C30H23F4N5O3/c1-41-26-4-2-3-24(17-26)36-28(40)35-23-13-15-25(16-14-23)39-27(20-7-9-21(10-8-20)30(32,33)34)37-29(38-39)42-18-19-5-11-22(31)12-6-19/h2-17H,18H2,1H3,(H2,35,36,40)

InChI Key

XJGKXDUMSWHEHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779489

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.929

Distribution Coefficient, logD

7.929

Water Solubility, LogSw

-5.75

Polar Surface Area

70.764

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V013-9534 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 V013-9534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9534?
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What is the minimum amount of V013-9534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9534
  • 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 V013-9534 available by request