4410-4865 Screening compound: N~1~-[3-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide

4410-4865 Screening compound: N~1~-[3-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide
4410-4865 Screening compound: N~1~-[3-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4865
N~1~-[3-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide

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

4410-4865

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

N~1~-[3-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc1cc(-c2nc(cccc3)c3o2)ccc1)=O)c1)c1Cl

InChI

InChI=1S/C22H17ClN2O3/c1-2-27-19-11-10-14(13-17(19)23)21(26)24-16-7-5-6-15(12-16)22-25-18-8-3-4-9-20(18)28-22/h3-13H,2H2,1H3,(H,24,26)

InChI Key

PUEOGQCFCLQOJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.97

Polar Surface Area

47.350

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

4410-4865 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 4410-4865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4865?
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What is the minimum amount of 4410-4865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4865
  • 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 4410-4865 available by request