F996-0032 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-bromophenyl)urea

F996-0032 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-bromophenyl)urea
F996-0032 Screening compound: 3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-bromophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F996-0032
3-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1-(3-bromophenyl)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

F996-0032

Molecular Formula

C21H16BrN3O3 (C21 H16 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(Nc1cccc(Br)c1)=O

InChI

InChI=1S/C21H16BrN3O3/c1-27-18-10-9-13(20-24-16-7-2-3-8-19(16)28-20)11-17(18)25-21(26)23-15-6-4-5-14(22)12-15/h2-12H,1H3,(H2,23,25,26)

InChI Key

BTDDINPKSHBEMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.67

Polar Surface Area

56.284

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F996-0032 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F996-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F996-0032?
Check Price and Availability of F996-0032, 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 F996-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F996-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F996-0032
  • 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 F996-0032 available by request