4194-0045 Screening compound: 5-bromo-N~3~-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide

4194-0045 Screening compound: 5-bromo-N~3~-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide
4194-0045 Screening compound: 5-bromo-N~3~-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4194-0045
5-bromo-N~3~-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide

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

4194-0045

Molecular Formula

C20H14BrN3O3 (C20 H14 BrN3 O3)

Compound Name

5-bromo-N~3~-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide

IUPAC name

5-bromo-N-[2-(3-methoxyphenyl)-13-benzoxazol-5-yl]pyridine-3-carboxamide

SMILES

COc1cccc(-c2nc(cc(cc3)NC(c4cc(Br)cnc4)=O)c3o2)c1

InChI

InChI=1S/C20H14BrN3O3/c1-26-16-4-2-3-12(8-16)20-24-17-9-15(5-6-18(17)27-20)23-19(25)13-7-14(21)11-22-10-13/h2-11H,1H3,(H,23,25)

InChI Key

OHHSXYZQGLVUOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.25

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

4.444

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.31

Polar Surface Area

57.291

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 4194-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4194-0045?
Check Price and Availability of 4194-0045, 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 4194-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4194-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4194-0045
  • 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 4194-0045 available by request