V003-3816 Screening compound: N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

V003-3816 Screening compound: N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide
V003-3816 Screening compound: N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3816
N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

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

V003-3816

Molecular Formula

C20H19F3N4O2 (C20 H19 F3 N4 O2)

Compound Name

N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

IUPAC name

N-(3-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl}phenyl)-2-methylpropanamide

SMILES

CC(C)C(Nc1cccc(-n(c(-c2ccc(C(F)(F)F)cc2)n2)nc2OC)c1)=O

InChI

InChI=1S/C20H19F3N4O2/c1-12(2)18(28)24-15-5-4-6-16(11-15)27-17(25-19(26-27)29-3)13-7-9-14(10-8-13)20(21,22)23/h4-12H,1-3H3,(H,24,28)

InChI Key

KNGXJYLSMKUBON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784295

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-5.05

Polar Surface Area

54.597

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V003-3816 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V003-3816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3816?
Check Price and Availability of V003-3816, 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 V003-3816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3816
  • 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 V003-3816 available by request