V016-4311 Screening compound: (2E)-N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

V016-4311 Screening compound: (2E)-N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
V016-4311 Screening compound: (2E)-N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4311
(2E)-N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

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

V016-4311

Molecular Formula

C24H21F3N2O2 (C24 H21 F3 N2 O2)

Compound Name

(2E)-N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

IUPAC name

(2E)-N-[2-methyl-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

SMILES

Cc(ccc(-c1c(CCCC2)c2no1)c1)c1NC(/C=C/c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C24H21F3N2O2/c1-15-9-11-17(23-19-7-2-3-8-20(19)29-31-23)14-21(15)28-22(30)12-10-16-5-4-6-18(13-16)24(25,26)27/h4-6,9-14H,2-3,7-8H2,1H3,(H,28,30)

InChI Key

HJDCRVBDKAGHAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

6.514

Water Solubility, LogSw

-5.71

Polar Surface Area

45.608

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V016-4311 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
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 V016-4311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4311?
Check Price and Availability of V016-4311, 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 V016-4311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4311
  • 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 V016-4311 available by request