V015-4710 Screening compound: (E)-N~1~-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzisoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]-2-propenamide

V015-4710 Screening compound: (E)-N~1~-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzisoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]-2-propenamide
V015-4710 Screening compound: (E)-N~1~-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzisoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4710
(E)-N~1~-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzisoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]-2-propenamide

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

V015-4710

Molecular Formula

C24H21F3N2O3 (C24 H21 F3 N2 O3)

Compound Name

(E)-N~1~-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzisoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]-2-propenamide

IUPAC name

(2E)-N-[2-methyl-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

SMILES

Cc(ccc(-c1c(CCCC2)c2no1)c1)c1NC(/C=C/c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C24H21F3N2O3/c1-15-6-10-17(23-19-4-2-3-5-20(19)29-32-23)14-21(15)28-22(30)13-9-16-7-11-18(12-8-16)31-24(25,26)27/h6-14H,2-5H2,1H3,(H,28,30)

InChI Key

VDFRMOFPEDYQEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.762

Distribution Coefficient, logD

6.762

Water Solubility, LogSw

-5.55

Polar Surface Area

51.545

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V015-4710 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V015-4710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4710?
Check Price and Availability of V015-4710, 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 V015-4710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4710
  • 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 V015-4710 available by request