V018-5612 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole

V018-5612 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
V018-5612 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5612
6-(2H-1,3-benzodioxol-5-yl)-2-(2,3,4-trimethoxyphenyl)-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

V018-5612

Molecular Formula

C23H19NO6 (C23 H19 NO6)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole

IUPAC name

6-(2H-13-benzodioxol-5-yl)-2-(234-trimethoxyphenyl)-13-benzoxazole

SMILES

COc(ccc(-c1nc(ccc(-c(cc2)cc3c2OCO3)c2)c2o1)c1OC)c1OC

InChI

InChI=1S/C23H19NO6/c1-25-18-9-6-15(21(26-2)22(18)27-3)23-24-16-7-4-13(10-19(16)30-23)14-5-8-17-20(11-14)29-12-28-17/h4-11H,12H2,1-3H3

InChI Key

GUQVIBFWJSDNRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.16

Polar Surface Area

56.957

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V018-5612 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Bromodomain Modulators Library (5801 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 V018-5612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5612?
Check Price and Availability of V018-5612, 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 V018-5612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5612
  • 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 V018-5612 available by request