1141-0061 Screening compound: N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

1141-0061 Screening compound: N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
1141-0061 Screening compound: N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1141-0061
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-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

1141-0061

Molecular Formula

C21H14Cl2N2O3 (C21 H14 Cl2 N2 O3)

Compound Name

N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

IUPAC name

N-[2-(24-dichlorophenyl)-13-benzoxazol-5-yl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc2c1oc(-c(ccc(Cl)c1)c1Cl)n2)=O

InChI

InChI=1S/C21H14Cl2N2O3/c1-27-18-5-3-2-4-15(18)20(26)24-13-7-9-19-17(11-13)25-21(28-19)14-8-6-12(22)10-16(14)23/h2-11H,1H3,(H,24,26)

InChI Key

SYDLYYCWQWCKKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.26

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

5.498

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-6.00

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1141-0061 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1141-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1141-0061?
Check Price and Availability of 1141-0061, 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 1141-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1141-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1141-0061
  • 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 1141-0061 available by request