4410-4732 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

4410-4732 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
4410-4732 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4732
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

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

4410-4732

Molecular Formula

C22H16ClFN2O2 (C22 H16 ClFN2 O2)

Compound Name

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

IUPAC name

N-[4-chloro-3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

SMILES

Cc(cc1C)cc2c1oc(-c(cc(cc1)NC(c(cc3)ccc3F)=O)c1Cl)n2

InChI

InChI=1S/C22H16ClFN2O2/c1-12-9-13(2)20-19(10-12)26-22(28-20)17-11-16(7-8-18(17)23)25-21(27)14-3-5-15(24)6-4-14/h3-11H,1-2H3,(H,25,27)

InChI Key

IMWUHWKXVYMIJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-6.09

Polar Surface Area

40.373

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4410-4732 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 4410-4732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4732?
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What is the minimum amount of 4410-4732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4732
  • 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 4410-4732 available by request