2239-0558 Screening compound: N~1~-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide

2239-0558 Screening compound: N~1~-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
2239-0558 Screening compound: N~1~-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2239-0558
N~1~-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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

2239-0558

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

N~1~-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide

IUPAC name

N-[4-chloro-3-(5-methyl-13-benzoxazol-2-yl)phenyl]-3-methoxybenzamide

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)NC(c3cc(OC)ccc3)=O)c1Cl)n2

InChI

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

InChI Key

NWAPXRSBWIIIEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535200

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-5.98

Polar Surface Area

47.684

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 2239-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2239-0558?
Check Price and Availability of 2239-0558, 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 2239-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2239-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2239-0558
  • 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 2239-0558 available by request