V031-1042 Screening compound: 2-(1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

V031-1042 Screening compound: 2-(1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
V031-1042 Screening compound: 2-(1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1042
2-(1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

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

V031-1042

Molecular Formula

C21H12F3NO3 (C21 H12 F3 NO3)

Compound Name

2-(1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

IUPAC name

n/a

SMILES

FC(c(cc1)ccc1-c(cc1)cc2c1nc(-c1c3OCOc3ccc1)o2)(F)F

InChI

InChI=1S/C21H12F3NO3/c22-21(23,24)14-7-4-12(5-8-14)13-6-9-16-18(10-13)28-20(25-16)15-2-1-3-17-19(15)27-11-26-17/h1-10H,11H2

InChI Key

XFADJPDRWNBAJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.169

Distribution Coefficient, logD

6.169

Water Solubility, LogSw

-6.33

Polar Surface Area

33.577

Acid Dissociation Constant (pKa)

37.44

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V031-1042 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1042?
Check Price and Availability of V031-1042, 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 V031-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1042
  • 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 V031-1042 available by request