V015-6838 Screening compound: (2E)-N-[4-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

V015-6838 Screening compound: (2E)-N-[4-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
V015-6838 Screening compound: (2E)-N-[4-(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 V015-6838
(2E)-N-[4-(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

V015-6838

Molecular Formula

C23H19F3N2O2 (C23 H19 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc(cc1)ccc1-c1c(CCCC2)c2no1

InChI

InChI=1S/C23H19F3N2O2/c24-23(25,26)17-5-3-4-15(14-17)8-13-21(29)27-18-11-9-16(10-12-18)22-19-6-1-2-7-20(19)28-30-22/h3-5,8-14H,1-2,6-7H2,(H,27,29)

InChI Key

PYXWFWDMRCEVQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.41

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

6.245

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-6.20

Polar Surface Area

46.306

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V015-6838 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-6838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6838?
Check Price and Availability of V015-6838, 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 V015-6838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6838
  • 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 V015-6838 available by request