8544-0171 Screening compound: 3-(4-chlorophenyl)-N-phenyl-2,1-benzoxazole-5-carboxamide

8544-0171 Screening compound: 3-(4-chlorophenyl)-N-phenyl-2,1-benzoxazole-5-carboxamide
8544-0171 Screening compound: 3-(4-chlorophenyl)-N-phenyl-2,1-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0171
3-(4-chlorophenyl)-N-phenyl-2,1-benzoxazole-5-carboxamide

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

8544-0171

Molecular Formula

C20H13ClN2O2 (C20 H13 ClN2 O2)

Compound Name

3-(4-chlorophenyl)-N-phenyl-2,1-benzoxazole-5-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-phenyl-21-benzoxazole-5-carboxamide

SMILES

O=C(c1cc2c(-c(cc3)ccc3Cl)onc2cc1)Nc1ccccc1

InChI

InChI=1S/C20H13ClN2O2/c21-15-9-6-13(7-10-15)19-17-12-14(8-11-18(17)23-25-19)20(24)22-16-4-2-1-3-5-16/h1-12H,(H,22,24)

InChI Key

AFVAIFLJFFYZHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.79

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

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-6.06

Polar Surface Area

44.813

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8544-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0171?
Check Price and Availability of 8544-0171, 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 8544-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0171
  • 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 8544-0171 available by request