V018-9486 Screening compound: 2-fluoro-6-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]phenol

V018-9486 Screening compound: 2-fluoro-6-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]phenol
V018-9486 Screening compound: 2-fluoro-6-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9486
2-fluoro-6-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]phenol

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

V018-9486

Molecular Formula

C22H18FNO5 (C22 H18 FNO5)

Compound Name

2-fluoro-6-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]phenol

IUPAC name

2-fluoro-6-[6-(234-trimethoxyphenyl)-13-benzoxazol-2-yl]phenol

SMILES

COc(ccc(-c(cc1)cc2c1nc(-c1cccc(F)c1O)o2)c1OC)c1OC

InChI

InChI=1S/C22H18FNO5/c1-26-17-10-8-13(20(27-2)21(17)28-3)12-7-9-16-18(11-12)29-22(24-16)14-5-4-6-15(23)19(14)25/h4-11,25H,1-3H3

InChI Key

WYINURCLGJUMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947670

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

395.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.50

Polar Surface Area

55.321

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V018-9486 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-9486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9486?
Check Price and Availability of V018-9486, 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 V018-9486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9486
  • 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 V018-9486 available by request