4410-4557 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide

4410-4557 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide
4410-4557 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4557
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide

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

4410-4557

Molecular Formula

C21H15ClN2O3 (C21 H15 ClN2 O3)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)-4-chlorophenyl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)cc(-c3nc(cccc4)c4o3)c2Cl)=O)c1

InChI

InChI=1S/C21H15ClN2O3/c1-26-15-6-4-5-13(11-15)20(25)23-14-9-10-17(22)16(12-14)21-24-18-7-2-3-8-19(18)27-21/h2-12H,1H3,(H,23,25)

InChI Key

YDPAIUPOZGINGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-5.94

Polar Surface Area

47.684

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4410-4557 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4410-4557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4557?
Check Price and Availability of 4410-4557, 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 4410-4557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4557
  • 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 4410-4557 available by request