V013-8822 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}urea

V013-8822 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}urea
V013-8822 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8822
3-(2,4-difluorophenyl)-1-{3-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-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

V013-8822

Molecular Formula

C25H20F5N5O3 (C25 H20 F5 N5 O3)

Compound Name

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

IUPAC name

3-(24-difluorophenyl)-1-{3-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}urea

SMILES

COCCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(NC(Nc(ccc(F)c2)c2F)=O)c1

InChI

InChI=1S/C25H20F5N5O3/c1-37-11-12-38-24-33-22(15-5-7-16(8-6-15)25(28,29)30)35(34-24)19-4-2-3-18(14-19)31-23(36)32-21-10-9-17(26)13-20(21)27/h2-10,13-14H,11-12H2,1H3,(H2,31,32,36)

InChI Key

GGZBPMVERPKKBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978057

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.46

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

5.868

Distribution Coefficient, logD

5.866

Water Solubility, LogSw

-5.56

Polar Surface Area

71.055

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V013-8822 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-8822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8822?
Check Price and Availability of V013-8822, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-8822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8822
  • 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 V013-8822 available by request