F996-0016 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3,4-dimethoxyphenyl)urea

F996-0016 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3,4-dimethoxyphenyl)urea
F996-0016 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F996-0016
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3,4-dimethoxyphenyl)urea

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

F996-0016

Molecular Formula

C23H21N3O5 (C23 H21 N3 O5)

Compound Name

3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3,4-dimethoxyphenyl)urea

IUPAC name

3-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-1-(34-dimethoxyphenyl)urea

SMILES

COc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(Nc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H21N3O5/c1-28-18-10-8-14(22-25-16-6-4-5-7-19(16)31-22)12-17(18)26-23(27)24-15-9-11-20(29-2)21(13-15)30-3/h4-13H,1-3H3,(H2,24,26,27)

InChI Key

XOSITRMZSMIRMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.48

Polar Surface Area

71.545

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F996-0016 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with F996-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F996-0016?
Check Price and Availability of F996-0016, 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 F996-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F996-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F996-0016
  • 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 F996-0016 available by request