V013-9470 Screening compound: 1-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)urea

V013-9470 Screening compound: 1-(4-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-(3-methoxyphenyl)urea
V013-9470 Screening compound: 1-(4-{3-ethoxy-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 V013-9470
1-(4-{3-ethoxy-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

V013-9470

Molecular Formula

C25H22F3N5O3 (C25 H22 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C25H22F3N5O3/c1-3-36-24-31-22(16-7-9-17(10-8-16)25(26,27)28)33(32-24)20-13-11-18(12-14-20)29-23(34)30-19-5-4-6-21(15-19)35-2/h4-15H,3H2,1-2H3,(H2,29,30,34)

InChI Key

VFNKNKQJBAFLGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784134

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.746

Distribution Coefficient, logD

6.746

Water Solubility, LogSw

-5.70

Polar Surface Area

70.660

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V013-9470 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with V013-9470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9470?
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What is the minimum amount of V013-9470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9470
  • 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 V013-9470 available by request